 Entering Gaussian System, Link 0=g16
 Input=NiComplex_wB97XD_augccpVDZr.in
 Output=NiComplex_wB97XD_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/Gau-21251.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21253.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 6-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=64GB
 %chk=NiComplex_wB97XD_augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=(UltraFineGrid) SCF=(NoSymm,MaxCyc=120) Polar=R
 OA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "NiComplex_wB97XD_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  Ni                                               -0.000000000000     -0.000000000000      0.652500000000
  N                                                -0.082892000000      1.531465000000      1.779512000000
  N                                                 0.035135000000      1.258858000000     -0.736700000000
  N                                                -0.035135000000     -1.258858000000     -0.736700000000
  N                                                 0.082892000000     -1.531465000000      1.779512000000
  C                                                -0.174405000000      1.886424000000      3.066827000000
  H                                                -0.190593000000      1.149673000000      3.853964000000
  C                                                -0.246672000000      3.286447000000      3.185987000000
  H                                                -0.325652000000      3.840549000000      4.106914000000
  C                                                -0.197796000000      3.805625000000      1.891409000000
  H                                                -0.229262000000      4.843857000000      1.601943000000
  C                                                -0.097056000000      2.701930000000      1.030922000000
  C                                                -0.000000000000      2.502585000000     -0.361601000000
  H                                                 0.056610000000      3.325630000000     -1.068678000000
  C                                                 0.316614000000      0.700637000000     -2.048574000000
  H                                                 1.404478000000      0.553540000000     -2.107013000000
  C                                                -0.124490000000      1.490760000000     -3.271684000000
  H                                                 0.338173000000      2.479802000000     -3.282004000000
  H                                                -1.208016000000      1.640740000000     -3.234017000000
  C                                                 0.267203000000      0.718040000000     -4.538312000000
  H                                                 1.359244000000      0.694817000000     -4.613383000000
  H                                                -0.093288000000      1.247887000000     -5.422265000000
  C                                                -0.267203000000     -0.718040000000     -4.538312000000
  H                                                 0.093288000000     -1.247887000000     -5.422265000000
  H                                                -1.359244000000     -0.694817000000     -4.613383000000
  C                                                 0.124490000000     -1.490760000000     -3.271684000000
  H                                                 1.208016000000     -1.640740000000     -3.234017000000
  H                                                -0.338173000000     -2.479802000000     -3.282004000000
  C                                                -0.316614000000     -0.700637000000     -2.048574000000
  H                                                -1.404478000000     -0.553540000000     -2.107013000000
  C                                                -0.000000000000     -2.502585000000     -0.361601000000
  H                                                -0.056610000000     -3.325630000000     -1.068678000000
  C                                                 0.097056000000     -2.701930000000      1.030922000000
  C                                                 0.197796000000     -3.805625000000      1.891409000000
  H                                                 0.229262000000     -4.843857000000      1.601943000000
  C                                                 0.246672000000     -3.286447000000      3.185987000000
  H                                                 0.325652000000     -3.840549000000      4.106914000000
  C                                                 0.174405000000     -1.886424000000      3.066827000000
  H                                                 0.190593000000     -1.149673000000      3.853964000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     39 NQM=       39 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          58          14          14          14          14          12           1          12           1          12
 AtmWgt=  57.9353471  14.0030740  14.0030740  14.0030740  14.0030740  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           0           2           2           2           2           0           1           0           1           0
 AtZEff=  25.4800000   4.5500000   4.5500000   4.5500000   4.5500000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000
 NQMom=    0.0000000   2.0440000   2.0440000   2.0440000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.4037610   0.4037610   0.4037610   0.4037610   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=  28.0000000   7.0000000   7.0000000   7.0000000   7.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1          12           1          12           1           1          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           1           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1          12           1           1          12           1           1          12           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           0           1           1           0           1           1           0           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39
 IAtWgt=          12           1          12          12           1          12           1          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           1           0           0           1           0           1           0           1
 AtZEff=   3.6000000   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0       -0.000000   -0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0       -0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Ni   0.000000
     2  N    1.903264   0.000000
     3  N    1.875056   2.533687   0.000000
     4  N    1.875056   3.757593   2.518696   0.000000
     5  N    1.903264   3.067413   3.757593   2.533687   0.000000
     6  C    3.068874   1.338488   3.860643   4.937511   3.661331
     7  H    3.406970   2.112041   4.597507   5.186462   3.400977
     8  C    4.156938   2.254985   4.424704   6.007663   5.029817
     9  H    5.175794   3.287492   5.500536   7.039101   5.868751
    10  C    4.007094   2.279809   3.667047   5.708100   5.345637
    11  H    4.941351   3.320376   4.288517   6.538354   6.385429
    12  C    2.730027   1.389452   2.285699   4.337760   4.302836
    13  C    2.700247   2.352511   1.299535   3.780263   4.567800
    14  H    3.745060   3.369076   2.093375   4.597408   5.630653
    15  C    2.808369   3.937527   1.453222   2.384190   4.437471
    16  H    3.145453   4.274773   2.061633   2.689801   4.604228
    17  C    4.199653   5.051531   2.550569   3.740926   5.889943
    18  H    4.663057   5.166777   2.839209   4.538228   6.463310
    19  H    4.388205   5.139389   2.815644   4.002488   6.071639
    20  C    5.247048   6.379587   3.846894   4.295554   6.708885
    21  H    5.482685   6.606727   4.135224   4.559584   6.888724
    22  H    6.202314   7.207365   4.687337   5.314289   7.721491
    23  C    5.247048   6.708885   4.295554   3.846894   6.379587
    24  H    6.202314   7.721491   5.314289   4.687337   7.207365
    25  H    5.482685   6.888724   4.559584   4.135224   6.606727
    26  C    4.199653   5.889943   3.740926   2.550569   5.051531
    27  H    4.388205   6.071639   4.002488   2.815644   5.139389
    28  H    4.663057   6.463310   4.538228   2.839209   5.166777
    29  C    2.808369   4.437471   2.384190   1.453222   3.937527
    30  H    3.145453   4.604228   2.689801   2.061633   4.274773
    31  C    2.700247   4.567800   3.780263   1.299535   2.352511
    32  H    3.745060   5.630653   4.597408   2.093375   3.369076
    33  C    2.730027   4.302836   4.337760   2.285699   1.389452
    34  C    4.007094   5.345637   5.708100   3.667047   2.279809
    35  H    4.941351   6.385429   6.538354   4.288517   3.320376
    36  C    4.156938   5.029817   6.007663   4.424704   2.254985
    37  H    5.175794   5.868751   7.039101   5.500536   3.287492
    38  C    3.068874   3.661331   4.937511   3.860643   1.338488
    39  H    3.406970   3.400977   5.186462   4.597507   2.112041
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.078262   0.000000
     8  C    1.406942   2.239451   0.000000
     9  H    2.218842   2.706111   1.077670   0.000000
    10  C    2.250664   3.302386   1.395660   2.219466   0.000000
    11  H    3.300804   4.326672   2.221491   2.700148   1.078289
    12  C    2.194525   3.223014   2.237934   3.287923   1.403114
    13  C    3.487720   4.431443   3.641520   4.675877   2.610190
    14  H    4.384870   5.387792   4.265641   5.215172   3.009524
    15  C    5.273947   5.941283   5.865521   6.939855   5.042721
    16  H    5.571182   6.199425   6.181499   7.239521   5.397288
    17  C    6.351044   7.134113   6.703800   7.746334   5.658755
    18  H    6.397069   7.278109   6.544282   7.542440   5.367427
    19  H    6.389785   7.177449   6.696938   7.714078   5.654844
    20  C    7.707028   8.415829   8.156321   9.210943   7.147777
    21  H    7.921971   8.620026   8.374108   9.422212   7.376572
    22  H    8.513459   9.277259   8.847670   9.878317   7.748727
    23  C    8.039278   8.597937   8.700640   9.773642   7.861913
    24  H    9.053190   9.585265   9.735387  10.810779   8.894523
    25  H    8.188545   8.744361   8.827143   9.883392   7.994702
    26  C    7.188284   7.605657   8.041205   9.114230   7.403586
    27  H    7.352048   7.744804   8.222514   9.289022   7.609809
    28  H    7.707036   8.007303   8.665616   9.723328   8.141898
    29  C    5.734146   6.187042   6.580453   7.649345   5.986984
    30  H    5.851079   6.317254   6.640923   7.686662   6.037034
    31  C    5.572067   5.580887   6.794050   7.765889   6.701395
    32  H    6.654456   6.654224   7.864977   8.843826   7.722490
    33  C    5.027086   4.784052   6.373626   7.241853   6.570818
    34  C    5.824050   5.343917   7.222947   7.977872   7.621523
    35  H    6.899675   6.416407   8.296840   9.055480   8.664855
    36  C    5.191349   4.507389   6.591383   7.209004   7.222947
    37  H    5.842094   5.023227   7.209004   7.708662   7.977872
    38  C    3.788938   3.157640   5.191349   5.842094   5.824050
    39  H    3.157640   2.330728   4.507389   5.023227   5.343917
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.220674   0.000000
    13  C    3.064249   1.410063   0.000000
    14  H    3.085280   2.195663   1.086538   0.000000
    15  C    5.548921   3.695889   2.488602   2.813963   0.000000
    16  H    5.901888   4.088621   2.969478   3.252594   1.099318
    17  C    5.916627   4.469911   3.083484   2.872765   1.521468
    18  H    5.455610   4.340518   2.940006   2.386109   2.165004
    19  H    5.882553   4.533218   3.233087   3.021064   2.147921
    20  C    7.414282   5.923248   4.549826   4.345369   2.490289
    21  H    7.639906   6.165022   4.815934   4.602496   2.768638
    22  H    7.892337   6.614974   5.214719   4.826303   3.442280
    23  C    8.284858   6.537699   5.280979   5.338022   2.924428
    24  H    9.303380   7.568415   6.299608   6.314438   3.902360
    25  H    8.401431   6.707398   5.490772   5.543787   3.366606
    26  C    8.000297   6.011668   4.942761   5.296740   2.516969
    27  H    8.215977   6.225086   5.184324   5.538886   2.771627
    28  H    8.803453   6.746096   5.785092   6.225569   3.473512
    29  C    6.638924   4.594449   3.634110   4.160567   1.537708
    30  H    6.653524   4.706811   3.789317   4.273275   2.130383
    31  C    7.607777   5.388461   5.005170   5.871222   3.634110
    32  H    8.596659   6.382902   5.871222   6.652224   4.160567
    33  C    7.574394   5.407345   5.388461   6.382902   4.594449
    34  C    8.664855   6.570818   6.701395   7.722490   5.986984
    35  H    9.698559   7.574394   7.607777   8.596659   6.638924
    36  C    8.296840   6.373626   6.794050   7.864977   6.580453
    37  H    9.055480   7.241853   7.765889   8.843826   7.649345
    38  C    6.899675   5.027086   5.572067   6.654456   5.734146
    39  H    6.416407   4.784052   5.580887   6.654224   6.187042
                   16         17         18         19         20
    16  H    0.000000
    17  C    2.138360   0.000000
    18  H    2.495615   1.091956   0.000000
    19  H    3.045861   1.094505   1.759838   0.000000
    20  C    2.689176   1.534557   2.164983   2.174588   0.000000
    21  H    2.510756   2.152939   2.449761   3.064024   1.094865
    22  H    3.703555   2.164477   2.506889   2.487043   1.091817
    23  C    3.212888   2.550198   3.488694   2.854848   1.532291
    24  H    3.994403   3.488927   4.305386   3.850453   2.162519
    25  H    3.934266   2.846317   3.838229   2.716679   2.155720
    26  C    2.678431   2.991898   3.976321   3.403422   2.550198
    27  H    2.474591   3.403422   4.211626   4.074963   2.854848
    28  H    3.690339   3.976321   5.005509   4.211626   3.488694
    29  C    2.130383   2.516969   3.473512   2.771627   2.924428
    30  H    3.019248   2.678431   3.690339   2.474591   3.212888
    31  C    3.789317   4.942761   5.785092   5.184324   5.280979
    32  H    4.273275   5.296740   6.225569   5.538886   5.338022
    33  C    4.706811   6.011668   6.746096   6.225086   6.537699
    34  C    6.037034   7.403586   8.141898   7.609809   7.861913
    35  H    6.653524   8.000297   8.803453   8.215977   8.284858
    36  C    6.640923   8.041205   8.665616   8.222514   8.700640
    37  H    7.686662   9.114230   9.723328   9.289022   9.773642
    38  C    5.851079   7.188284   7.707036   7.352048   8.039278
    39  H    6.317254   7.605657   8.007303   7.744804   8.597937
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.752149   0.000000
    23  C    2.155720   2.162519   0.000000
    24  H    2.455816   2.502738   1.091817   0.000000
    25  H    3.053074   2.455816   1.094865   1.752149   0.000000
    26  C    2.846317   3.488927   1.534557   2.164477   2.152939
    27  H    2.716679   3.850453   2.174588   2.487043   3.064024
    28  H    3.838229   4.305386   2.164983   2.506889   2.449761
    29  C    3.366606   3.902360   2.490289   3.442280   2.768638
    30  H    3.934266   3.994403   2.689176   3.703555   2.510756
    31  C    5.490772   6.299608   4.549826   5.214719   4.815934
    32  H    5.543787   6.314438   4.345369   4.826303   4.602496
    33  C    6.707398   7.568415   5.923248   6.614974   6.165022
    34  C    7.994702   8.894523   7.147777   7.748727   7.376572
    35  H    8.401431   9.303380   7.414282   7.892337   7.639906
    36  C    8.827143   9.735387   8.156321   8.847670   8.374108
    37  H    9.883392  10.810779   9.210943   9.878317   9.422212
    38  C    8.188545   9.053190   7.707028   8.513459   7.921971
    39  H    8.744361   9.585265   8.415829   9.277259   8.620026
                   26         27         28         29         30
    26  C    0.000000
    27  H    1.094505   0.000000
    28  H    1.091956   1.759838   0.000000
    29  C    1.521468   2.147921   2.165004   0.000000
    30  H    2.138360   3.045861   2.495615   1.099318   0.000000
    31  C    3.083484   3.233087   2.940006   2.488602   2.969478
    32  H    2.872765   3.021064   2.386109   2.813963   3.252594
    33  C    4.469911   4.533218   4.340518   3.695889   4.088621
    34  C    5.658755   5.654844   5.367427   5.042721   5.397288
    35  H    5.916627   5.882553   5.455610   5.548921   5.901888
    36  C    6.703800   6.696938   6.544282   5.865521   6.181499
    37  H    7.746334   7.714078   7.542440   6.939855   7.239521
    38  C    6.351044   6.389785   6.397069   5.273947   5.571182
    39  H    7.134113   7.177449   7.278109   5.941283   6.199425
                   31         32         33         34         35
    31  C    0.000000
    32  H    1.086538   0.000000
    33  C    1.410063   2.195663   0.000000
    34  C    2.610190   3.009524   1.403114   0.000000
    35  H    3.064249   3.085280   2.220674   1.078289   0.000000
    36  C    3.641520   4.265641   2.237934   1.395660   2.221491
    37  H    4.675877   5.215172   3.287923   2.219466   2.700148
    38  C    3.487720   4.384870   2.194525   2.250664   3.300804
    39  H    4.431443   5.387792   3.223014   3.302386   4.326672
                   36         37         38         39
    36  C    0.000000
    37  H    1.077670   0.000000
    38  C    1.406942   2.218842   0.000000
    39  H    2.239451   2.706111   1.078262   0.000000
 Stoichiometry    C16H18N4Ni
 Framework group  C2[C2(Ni),X(C16H18N4)]
 Deg. of freedom    56
 Full point group                 C2      NOp   2
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C2      NOp   2
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0        0.000000    0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0        0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3745811           0.2799131           0.1619734
 Leave Link  202 at Mon Sep  6 11:32:16 2021, MaxMem=  8589934592 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      9     11     14     16     18     19     21     22     24
 Centers:      25     27     28     30     32     35     37     39
 S 4 1.00
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 S 1 1.00
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 S 1 1.00
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 P 1 1.00
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 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      8     10     12     13     15     17     20     23     26
 Centers:      29     31     33     34     36     38
 S 9 1.00
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 P 1 1.00
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 P 1 1.00
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 D 1 1.00
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 D 1 1.00
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 ****
 Centers:       2      3      4      5
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 S 1 1.00
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 S 1 1.00
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 P 4 1.00
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 P 1 1.00
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 P 1 1.00
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 D 1 1.00
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 D 1 1.00
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 ****
 Centers:       1
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 S 20 1.00
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 P 16 1.00
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     Exponent=  8.5133600000D-01 Coefficients= -7.2795000000D-02
     Exponent=  3.2481400000D-01 Coefficients=  1.9564000000D-01
     Exponent=  1.1952200000D-01 Coefficients=  5.6709900000D-01
     Exponent=  4.2366000000D-02 Coefficients=  3.9527000000D-01
 P 16 1.00
     Exponent=  2.1027920000D+04 Coefficients=  6.0000000000D-06
     Exponent=  4.9775600000D+03 Coefficients=  5.3000000000D-05
     Exponent=  1.6167400000D+03 Coefficients=  3.0500000000D-04
     Exponent=  6.1867180000D+02 Coefficients=  1.3640000000D-03
     Exponent=  2.6251830000D+02 Coefficients=  4.8760000000D-03
     Exponent=  1.1969070000D+02 Coefficients=  1.4503000000D-02
     Exponent=  5.7465850000D+01 Coefficients=  3.3296000000D-02
     Exponent=  2.8528290000D+01 Coefficients=  5.7482000000D-02
     Exponent=  1.4521480000D+01 Coefficients=  5.8702000000D-02
     Exponent=  7.4538500000D+00 Coefficients= -1.9904000000D-02
     Exponent=  3.7235530000D+00 Coefficients= -1.9469500000D-01
     Exponent=  1.8098130000D+00 Coefficients= -2.3961300000D-01
     Exponent=  8.5133600000D-01 Coefficients= -2.2320000000D-03
     Exponent=  3.2481400000D-01 Coefficients=  5.2143500000D-01
     Exponent=  1.1952200000D-01 Coefficients=  5.4554000000D-01
     Exponent=  4.2366000000D-02 Coefficients=  4.3622000000D-02
 P 1 1.00
     Exponent=  4.2366000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5020000000D-02 Coefficients=  1.0000000000D+00
 D 8 1.00
     Exponent=  1.4025270000D+02 Coefficients=  3.3760000000D-03
     Exponent=  4.1726100000D+01 Coefficients=  2.5141000000D-02
     Exponent=  1.5398100000D+01 Coefficients=  9.7746000000D-02
     Exponent=  6.2771000000D+00 Coefficients=  2.3470900000D-01
     Exponent=  2.6185000000D+00 Coefficients=  3.4694500000D-01
     Exponent=  1.0526000000D+00 Coefficients=  3.5106800000D-01
     Exponent=  3.9160000000D-01 Coefficients=  2.5025500000D-01
     Exponent=  1.2620000000D-01 Coefficients=  1.0008200000D-01
 D 8 1.00
     Exponent=  1.4025270000D+02 Coefficients= -3.4950000000D-03
     Exponent=  4.1726100000D+01 Coefficients= -2.6015000000D-02
     Exponent=  1.5398100000D+01 Coefficients= -1.0387600000D-01
     Exponent=  6.2771000000D+00 Coefficients= -2.5207000000D-01
     Exponent=  2.6185000000D+00 Coefficients= -2.9458000000D-01
     Exponent=  1.0526000000D+00 Coefficients=  1.1520000000D-03
     Exponent=  3.9160000000D-01 Coefficients=  4.3858900000D-01
     Exponent=  1.2620000000D-01 Coefficients=  5.4362600000D-01
 D 1 1.00
     Exponent=  1.2620000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.0670000000D-02 Coefficients=  1.0000000000D+00
 F 2 1.00
     Exponent=  4.3455000000D+00 Coefficients=  4.1742900000D-01
     Exponent=  1.0680000000D+00 Coefficients=  7.7148300000D-01
 F 1 1.00
     Exponent=  4.0830000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  126 primitive shells out of 893 were deleted.
 There are   368 symmetry adapted cartesian basis functions of A   symmetry.
 There are   363 symmetry adapted cartesian basis functions of B   symmetry.
 There are   342 symmetry adapted basis functions of A   symmetry.
 There are   339 symmetry adapted basis functions of B   symmetry.
   681 basis functions,  1464 primitive gaussians,   731 cartesian basis functions
    85 alpha electrons       85 beta electrons
       nuclear repulsion energy      2160.8498980136 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   39 NActive=   39 NUniq=   20 SFac= 3.80D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0343808614 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2160.8155171521 Hartrees.
 Leave Link  301 at Mon Sep  6 11:32:18 2021, MaxMem=  8589934592 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   681 RedAO= T EigKep=  1.14D-06  NBF=   342   339
 NBsUse=   681 1.00D-06 EigRej= -1.00D+00 NBFU=   342   339
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   731   731   731   731   731 MxSgAt=    39 MxSgA2=    39.
 Leave Link  302 at Mon Sep  6 11:32:20 2021, MaxMem=  8589934592 cpu:              13.2 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep  6 11:32:21 2021, MaxMem=  8589934592 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "NiComplex_wB97XD_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (A) (A)
                 (B)
       Virtual   (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (A) (A) (B) (A) (A)
                 (B) (A) (B) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (A)
                 (B) (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (B) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (A) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (A) (B) (A) (B) (A)
                 (B) (B) (A) (B) (B) (B) (A) (A) (A) (B) (A) (A)
                 (B) (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (B)
                 (B) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (A) (B) (B) (B) (A) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (B) (A) (A) (A) (B) (A) (B) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (B) (B) (A) (B) (A)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (B)
                 (A) (A) (B) (A) (A) (B) (B) (A) (A) (B) (B) (A)
                 (B) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (B) (B) (B) (A) (A) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (B) (A)
                 (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A) (B)
                 (A) (A) (B) (B) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (B) (A) (B) (B) (A) (A) (A) (B) (A) (B) (B)
                 (A) (B) (B) (A) (A) (A) (B) (B) (A) (B) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (B) (A) (B) (A) (A)
                 (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (A) (A) (B) (B) (A) (B)
                 (A) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (A) (B) (B) (B) (B) (B)
 The electronic state of the initial guess is 1-A.
 Leave Link  401 at Mon Sep  6 11:32:25 2021, MaxMem=  8589934592 cpu:              28.7 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  8589934592 LenX=  8588851584 LenY=  8588316492
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 E= -2347.84446524299    
 DIIS: error= 4.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -2347.84446524299     IErMin= 1 ErrMin= 4.68D-03
 ErrMax= 4.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-02 BMatP= 2.01D-02
 IDIUse=3 WtCom= 9.53D-01 WtEn= 4.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.274 Goal=   None    Shift=    0.000
 GapD=    0.274 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.67D-02 MaxDP=6.28D+00              OVMax= 1.91D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.53D-02    CP:  1.74D+00
 E= -2347.85465290986     Delta-E=       -0.010187666868 Rises=F Damp=F
 DIIS: error= 2.62D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -2347.85465290986     IErMin= 2 ErrMin= 2.62D-03
 ErrMax= 2.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-03 BMatP= 2.01D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.62D-02
 Coeff-Com:  0.255D+00 0.745D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.248D+00 0.752D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=3.85D-03 MaxDP=8.73D-01 DE=-1.02D-02 OVMax= 2.72D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.36D-03    CP:  1.81D+00  1.10D+00
 E= -2347.84979180097     Delta-E=        0.004861108890 Rises=F Damp=F
 DIIS: error= 6.02D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -2347.85465290986     IErMin= 2 ErrMin= 2.62D-03
 ErrMax= 6.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-02 BMatP= 5.61D-03
 IDIUse=3 WtCom= 1.14D-01 WtEn= 8.86D-01
 Coeff-Com: -0.291D-01 0.670D+00 0.359D+00
 Coeff-En:   0.000D+00 0.699D+00 0.301D+00
 Coeff:     -0.332D-02 0.696D+00 0.308D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=1.48D-03 MaxDP=1.60D-01 DE= 4.86D-03 OVMax= 1.28D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.68D-04    CP:  1.84D+00  1.13D+00  8.91D-01
 E= -2347.85692597439     Delta-E=       -0.007134173421 Rises=F Damp=F
 DIIS: error= 8.35D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -2347.85692597439     IErMin= 4 ErrMin= 8.35D-04
 ErrMax= 8.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-04 BMatP= 5.61D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.35D-03
 Coeff-Com: -0.167D-01 0.218D+00 0.743D-02 0.791D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.165D-01 0.216D+00 0.737D-02 0.793D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=4.19D-04 MaxDP=5.12D-02 DE=-7.13D-03 OVMax= 3.57D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  1.85D+00  1.14D+00  9.28D-01  1.25D+00
 E= -2347.85711476048     Delta-E=       -0.000188786086 Rises=F Damp=F
 DIIS: error= 2.25D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -2347.85711476048     IErMin= 5 ErrMin= 2.25D-04
 ErrMax= 2.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-05 BMatP= 4.29D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.25D-03
 Coeff-Com: -0.509D-03-0.563D-01-0.897D-01 0.425D+00 0.721D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.508D-03-0.562D-01-0.895D-01 0.425D+00 0.722D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=1.43D-02 DE=-1.89D-04 OVMax= 1.94D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.82D-05    CP:  1.85D+00  1.15D+00  9.66D-01  1.33D+00  1.29D+00
 E= -2347.85714489765     Delta-E=       -0.000030137168 Rises=F Damp=F
 DIIS: error= 8.80D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -2347.85714489765     IErMin= 6 ErrMin= 8.80D-05
 ErrMax= 8.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-06 BMatP= 2.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-02-0.629D-01-0.495D-01 0.863D-01 0.326D+00 0.698D+00
 Coeff:      0.227D-02-0.629D-01-0.495D-01 0.863D-01 0.326D+00 0.698D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=2.94D-05 MaxDP=2.54D-03 DE=-3.01D-05 OVMax= 7.15D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.00D-05    CP:  1.85D+00  1.15D+00  9.72D-01  1.35D+00  1.37D+00
                    CP:  1.14D+00
 E= -2347.85714951607     Delta-E=       -0.000004618424 Rises=F Damp=F
 DIIS: error= 4.06D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -2347.85714951607     IErMin= 7 ErrMin= 4.06D-05
 ErrMax= 4.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-07 BMatP= 3.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-02-0.139D-01-0.423D-02-0.403D-01-0.599D-02 0.246D+00
 Coeff-Com:  0.817D+00
 Coeff:      0.107D-02-0.139D-01-0.423D-02-0.403D-01-0.599D-02 0.246D+00
 Coeff:      0.817D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=2.62D-05 MaxDP=4.01D-03 DE=-4.62D-06 OVMax= 4.65D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.46D-06    CP:  1.85D+00  1.15D+00  9.69D-01  1.34D+00  1.41D+00
                    CP:  1.22D+00  1.21D+00
 E= -2347.85715030904     Delta-E=       -0.000000792972 Rises=F Damp=F
 DIIS: error= 8.42D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -2347.85715030904     IErMin= 8 ErrMin= 8.42D-06
 ErrMax= 8.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-08 BMatP= 3.36D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-03 0.267D-02 0.525D-02-0.261D-01-0.484D-01-0.906D-02
 Coeff-Com:  0.322D+00 0.753D+00
 Coeff:      0.120D-03 0.267D-02 0.525D-02-0.261D-01-0.484D-01-0.906D-02
 Coeff:      0.322D+00 0.753D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=1.21D-03 DE=-7.93D-07 OVMax= 1.92D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.40D-06    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.28D+00  1.13D+00
 E= -2347.85715044310     Delta-E=       -0.000000134058 Rises=F Damp=F
 DIIS: error= 3.72D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -2347.85715044310     IErMin= 9 ErrMin= 3.72D-06
 ErrMax= 3.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-08 BMatP= 7.36D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-03 0.392D-02 0.354D-02-0.401D-02-0.231D-01-0.567D-01
 Coeff-Com: -0.333D-01 0.382D+00 0.728D+00
 Coeff:     -0.168D-03 0.392D-02 0.354D-02-0.401D-02-0.231D-01-0.567D-01
 Coeff:     -0.333D-01 0.382D+00 0.728D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=1.98D-04 DE=-1.34D-07 OVMax= 7.32D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.96D-06    CP:  1.84D+00  1.15D+00  9.68D-01  1.33D+00  1.41D+00
                    CP:  1.23D+00  1.29D+00  1.21D+00  1.13D+00
 E= -2347.85715047714     Delta-E=       -0.000000034036 Rises=F Damp=F
 DIIS: error= 1.71D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -2347.85715047714     IErMin=10 ErrMin= 1.71D-06
 ErrMax= 1.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-09 BMatP= 1.92D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-04 0.379D-03-0.965D-04 0.290D-02 0.188D-02-0.505D-02
 Coeff-Com: -0.489D-01-0.933D-02 0.126D+00 0.932D+00
 Coeff:     -0.420D-04 0.379D-03-0.965D-04 0.290D-02 0.188D-02-0.505D-02
 Coeff:     -0.489D-01-0.933D-02 0.126D+00 0.932D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=1.67D-06 MaxDP=2.26D-04 DE=-3.40D-08 OVMax= 4.16D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.72D-07    CP:  1.85D+00  1.15D+00  9.68D-01  1.33D+00  1.41D+00
                    CP:  1.23D+00  1.28D+00  1.23D+00  1.14D+00  1.19D+00
 E= -2347.85715048117     Delta-E=       -0.000000004034 Rises=F Damp=F
 DIIS: error= 8.36D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -2347.85715048117     IErMin=11 ErrMin= 8.36D-07
 ErrMax= 8.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-10 BMatP= 1.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-04-0.538D-03-0.674D-03 0.195D-02 0.506D-02 0.907D-02
 Coeff-Com: -0.184D-01-0.788D-01-0.969D-01 0.429D+00 0.751D+00
 Coeff:      0.103D-04-0.538D-03-0.674D-03 0.195D-02 0.506D-02 0.907D-02
 Coeff:     -0.184D-01-0.788D-01-0.969D-01 0.429D+00 0.751D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=8.77D-07 MaxDP=1.43D-04 DE=-4.03D-09 OVMax= 2.00D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.57D-07    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.28D+00  1.23D+00  1.15D+00  1.28D+00
                    CP:  1.29D+00
 E= -2347.85715048310     Delta-E=       -0.000000001929 Rises=F Damp=F
 DIIS: error= 5.44D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -2347.85715048310     IErMin=12 ErrMin= 5.44D-07
 ErrMax= 5.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-11 BMatP= 4.98D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-04-0.213D-03-0.143D-03-0.232D-03 0.739D-03 0.397D-02
 Coeff-Com:  0.748D-02-0.155D-01-0.650D-01-0.103D+00 0.197D+00 0.975D+00
 Coeff:      0.121D-04-0.213D-03-0.143D-03-0.232D-03 0.739D-03 0.397D-02
 Coeff:      0.748D-02-0.155D-01-0.650D-01-0.103D+00 0.197D+00 0.975D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=3.86D-07 MaxDP=5.13D-05 DE=-1.93D-09 OVMax= 1.58D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.27D+00  1.22D+00  1.13D+00  1.31D+00
                    CP:  1.45D+00  1.33D+00
 E= -2347.85715048318     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 3.35D-07 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -2347.85715048318     IErMin=13 ErrMin= 3.35D-07
 ErrMax= 3.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-11 BMatP= 8.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.852D-06 0.106D-03 0.131D-03-0.518D-03-0.134D-02-0.154D-02
 Coeff-Com:  0.518D-02 0.190D-01 0.119D-01-0.119D+00-0.171D+00 0.141D+00
 Coeff-Com:  0.112D+01
 Coeff:     -0.852D-06 0.106D-03 0.131D-03-0.518D-03-0.134D-02-0.154D-02
 Coeff:      0.518D-02 0.190D-01 0.119D-01-0.119D+00-0.171D+00 0.141D+00
 Coeff:      0.112D+01
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=2.12D-07 MaxDP=5.53D-05 DE=-8.46D-11 OVMax= 1.04D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.83D-08    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.27D+00  1.22D+00  1.12D+00  1.31D+00
                    CP:  1.51D+00  1.47D+00  1.31D+00
 E= -2347.85715048362     Delta-E=       -0.000000000436 Rises=F Damp=F
 DIIS: error= 1.75D-07 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -2347.85715048362     IErMin=14 ErrMin= 1.75D-07
 ErrMax= 1.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.79D-12 BMatP= 2.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.362D-05 0.909D-04 0.765D-04-0.518D-04-0.588D-03-0.149D-02
 Coeff-Com: -0.876D-03 0.963D-02 0.213D-01-0.460D-02-0.949D-01-0.232D+00
 Coeff-Com:  0.315D+00 0.989D+00
 Coeff:     -0.362D-05 0.909D-04 0.765D-04-0.518D-04-0.588D-03-0.149D-02
 Coeff:     -0.876D-03 0.963D-02 0.213D-01-0.460D-02-0.949D-01-0.232D+00
 Coeff:      0.315D+00 0.989D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=9.83D-08 MaxDP=1.34D-05 DE=-4.36D-10 OVMax= 5.92D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.23D-08    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.28D+00  1.22D+00  1.12D+00  1.30D+00
                    CP:  1.49D+00  1.48D+00  1.48D+00  1.27D+00
 E= -2347.85715048358     Delta-E=        0.000000000045 Rises=F Damp=F
 DIIS: error= 8.43D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -2347.85715048362     IErMin=15 ErrMin= 8.43D-08
 ErrMax= 8.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-12 BMatP= 6.79D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.354D-06-0.175D-04-0.263D-04 0.169D-03 0.356D-03 0.163D-03
 Coeff-Com: -0.175D-02-0.444D-02 0.138D-02 0.356D-01 0.406D-01-0.108D+00
 Coeff-Com: -0.284D+00 0.187D+00 0.113D+01
 Coeff:     -0.354D-06-0.175D-04-0.263D-04 0.169D-03 0.356D-03 0.163D-03
 Coeff:     -0.175D-02-0.444D-02 0.138D-02 0.356D-01 0.406D-01-0.108D+00
 Coeff:     -0.284D+00 0.187D+00 0.113D+01
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=5.02D-08 MaxDP=1.37D-05 DE= 4.55D-11 OVMax= 3.78D-06

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.97D-08    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.28D+00  1.22D+00  1.13D+00  1.31D+00
                    CP:  1.48D+00  1.45D+00  1.51D+00  1.43D+00  1.35D+00
 E= -2347.85715048409     Delta-E=       -0.000000000518 Rises=F Damp=F
 DIIS: error= 2.54D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -2347.85715048409     IErMin=16 ErrMin= 2.54D-08
 ErrMax= 2.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.97D-13 BMatP= 1.79D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.793D-06-0.247D-04-0.240D-04 0.377D-04 0.197D-03 0.315D-03
 Coeff-Com: -0.167D-04-0.296D-02-0.372D-02 0.614D-02 0.298D-01 0.228D-01
 Coeff-Com: -0.101D+00-0.178D+00 0.204D+00 0.102D+01
 Coeff:      0.793D-06-0.247D-04-0.240D-04 0.377D-04 0.197D-03 0.315D-03
 Coeff:     -0.167D-04-0.296D-02-0.372D-02 0.614D-02 0.298D-01 0.228D-01
 Coeff:     -0.101D+00-0.178D+00 0.204D+00 0.102D+01
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=2.70D-08 MaxDP=5.62D-06 DE=-5.18D-10 OVMax= 1.16D-06

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  9.53D-09    CP:  1.85D+00  1.15D+00  9.68D-01  1.34D+00  1.41D+00
                    CP:  1.23D+00  1.28D+00  1.22D+00  1.13D+00  1.31D+00
                    CP:  1.48D+00  1.43D+00  1.49D+00  1.42D+00  1.47D+00
                    CP:  1.29D+00
 E= -2347.85715048436     Delta-E=       -0.000000000271 Rises=F Damp=F
 DIIS: error= 9.76D-09 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=17 EnMin= -2347.85715048436     IErMin=17 ErrMin= 9.76D-09
 ErrMax= 9.76D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-14 BMatP= 3.97D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-06-0.277D-05 0.920D-07-0.249D-04-0.120D-04 0.326D-04
 Coeff-Com:  0.313D-03-0.810D-04-0.104D-02-0.501D-02 0.804D-03 0.229D-01
 Coeff-Com:  0.308D-01-0.738D-01-0.159D+00 0.186D+00 0.997D+00
 Coeff:      0.243D-06-0.277D-05 0.920D-07-0.249D-04-0.120D-04 0.326D-04
 Coeff:      0.313D-03-0.810D-04-0.104D-02-0.501D-02 0.804D-03 0.229D-01
 Coeff:      0.308D-01-0.738D-01-0.159D+00 0.186D+00 0.997D+00
 Gap=     0.270 Goal=   None    Shift=    0.000
 RMSDP=9.38D-09 MaxDP=9.22D-07 DE=-2.71D-10 OVMax= 4.25D-07

 SCF Done:  E(RwB97XD) =  -2347.85715048     A.U. after   17 cycles
            NFock= 17  Conv=0.94D-08     -V/T= 2.0030
 KE= 2.340932471920D+03 PE=-9.874207240998D+03 EE= 3.024602101442D+03
 Leave Link  502 at Mon Sep  6 12:30:47 2021, MaxMem=  8589934592 cpu:           28001.2 elap:            3501.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   681
 NBasis=   681 NAE=    85 NBE=    85 NFC=     0 NFV=     0
 NROrb=    681 NOA=    85 NOB=    85 NVA=   596 NVB=   596

 **** Warning!!: The largest alpha MO coefficient is  0.14927732D+03

 Leave Link  801 at Mon Sep  6 12:30:48 2021, MaxMem=  8589934592 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12169 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    8589934592 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          39
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.44D-13 8.33D-09 XBig12= 1.00D+00 4.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.44D-13 8.33D-09 XBig12= 3.65D-01 1.05D-01.
     11 vectors produced by pass  2 Test12= 8.44D-13 8.33D-09 XBig12= 3.02D-01 1.56D-01.
     11 vectors produced by pass  3 Test12= 8.44D-13 8.33D-09 XBig12= 2.32D-01 7.42D-02.
     11 vectors produced by pass  4 Test12= 8.44D-13 8.33D-09 XBig12= 5.10D-02 2.78D-02.
     11 vectors produced by pass  5 Test12= 8.44D-13 8.33D-09 XBig12= 8.99D-03 1.20D-02.
     11 vectors produced by pass  6 Test12= 8.44D-13 8.33D-09 XBig12= 1.12D-03 4.42D-03.
     11 vectors produced by pass  7 Test12= 8.44D-13 8.33D-09 XBig12= 1.10D-04 1.73D-03.
     11 vectors produced by pass  8 Test12= 8.44D-13 8.33D-09 XBig12= 6.68D-06 3.49D-04.
     11 vectors produced by pass  9 Test12= 8.44D-13 8.33D-09 XBig12= 3.57D-07 8.23D-05.
     11 vectors produced by pass 10 Test12= 8.44D-13 8.33D-09 XBig12= 2.45D-08 2.56D-05.
     11 vectors produced by pass 11 Test12= 8.44D-13 8.33D-09 XBig12= 1.59D-09 6.67D-06.
     11 vectors produced by pass 12 Test12= 8.44D-13 8.33D-09 XBig12= 8.72D-11 1.39D-06.
      9 vectors produced by pass 13 Test12= 8.44D-13 8.33D-09 XBig12= 4.35D-12 2.34D-07.
      5 vectors produced by pass 14 Test12= 8.44D-13 8.33D-09 XBig12= 3.59D-13 5.86D-08.
      2 vectors produced by pass 15 Test12= 8.44D-13 8.33D-09 XBig12= 7.51D-14 1.36D-08.
      2 vectors produced by pass 16 Test12= 8.44D-13 8.33D-09 XBig12= 4.34D-14 1.37D-08.
      1 vectors produced by pass 17 Test12= 8.44D-13 8.33D-09 XBig12= 1.50D-14 9.39D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   162 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149192D+03
      2 -0.111754D+02  0.327553D+03
      3  0.000000D+00  0.000000D+00  0.384203D+03
 Isotropic polarizability for W=    0.085645      286.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.233099D+03
      2   0.000000D+00  0.000000D+00  0.253945D+03
      3   0.000000D+00  0.000000D+00 -0.208454D+02
      4   0.000000D+00  0.000000D+00 -0.658485D+02
      5  -0.630529D+02 -0.463995D+02  0.000000D+00
      6  -0.882964D+02  0.616086D+03  0.000000D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.519169D+02 -0.242532D+03  0.000000D+00
      2   0.459532D+02 -0.100877D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.220312D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.194490D+02  0.362141D+03  0.000000D+00
      2  -0.170047D+03  0.224480D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.418970D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.345609D+02  0.731564D+02  0.000000D+00
      2   0.731564D+02  0.425860D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.349545D+02
 OR G Eigenvalues:   -78.6904   -34.9545    86.7155  Iso=     8.9764
 Eigenvectors:
   (1)   0.856274  -0.516522   0.000000
   (2)  -0.000000  -0.000000   1.000000
   (3)   0.516522   0.856274   0.000000
 w=    0.085645 a.u., Optical Rotation Beta=      8.9764 au.
 Molar Mass =    325.0550 grams/mole, [Alpha] ( 5320.0 A) =     1309.70 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  232221 ScalPx= 5.72D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.85D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.41D-13 2.78D-09 XBig12= 1.00D+00 3.98D-01.
     30 vectors produced by pass  1 Test12= 1.41D-13 2.78D-09 XBig12= 3.09D-01 1.97D-01.
     30 vectors produced by pass  2 Test12= 1.41D-13 2.78D-09 XBig12= 1.09D-02 3.28D-02.
     30 vectors produced by pass  3 Test12= 1.41D-13 2.78D-09 XBig12= 4.53D-04 5.29D-03.
     30 vectors produced by pass  4 Test12= 1.41D-13 2.78D-09 XBig12= 2.23D-05 9.20D-04.
     30 vectors produced by pass  5 Test12= 1.41D-13 2.78D-09 XBig12= 7.86D-07 1.31D-04.
     30 vectors produced by pass  6 Test12= 1.41D-13 2.78D-09 XBig12= 2.00D-08 1.79D-05.
     30 vectors produced by pass  7 Test12= 1.41D-13 2.78D-09 XBig12= 4.49D-10 2.24D-06.
     30 vectors produced by pass  8 Test12= 1.41D-13 2.78D-09 XBig12= 7.96D-12 2.67D-07.
     30 vectors produced by pass  9 Test12= 1.41D-13 2.78D-09 XBig12= 1.46D-13 3.85D-08.
     14 vectors produced by pass 10 Test12= 1.41D-13 2.78D-09 XBig12= 3.54D-14 1.13D-08.
      6 vectors produced by pass 11 Test12= 1.41D-13 2.78D-09 XBig12= 1.45D-14 9.61D-09.
      3 vectors produced by pass 12 Test12= 1.41D-13 2.78D-09 XBig12= 1.28D-14 7.67D-09.
      1 vectors produced by pass 13 Test12= 1.41D-13 2.78D-09 XBig12= 4.29D-15 5.14D-09.
      1 vectors produced by pass 14 Test12= 1.41D-13 2.78D-09 XBig12= 2.58D-15 3.01D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.11D-15
 Solved reduced A of dimension   325 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 1.81D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 1.81D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.42D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149192D+03 -0.111754D+02  0.000000D+00
      2  -0.111754D+02  0.327553D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.384203D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.519169D+02 -0.242532D+03  0.000000D+00
      2   0.459532D+02 -0.100877D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.220312D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.233099D+03
      2   0.000000D+00  0.000000D+00  0.253945D+03
      3   0.000000D+00  0.000000D+00 -0.208454D+02
      4   0.000000D+00  0.000000D+00 -0.658485D+02
      5  -0.630529D+02 -0.463995D+02  0.000000D+00
      6  -0.882964D+02  0.616086D+03  0.000000D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.214921D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00  0.276787D+01  0.000000D+00  0.000000D+00
      3  -0.214921D+01  0.276787D+01  0.000000D+00  0.355609D+00  0.134913D+01
                 6             7             8             9            10 
      1   0.355609D+00  0.206418D+00  0.851745D+00  0.000000D+00  0.255290D+00
      2   0.134913D+01  0.851745D+00  0.340695D+02  0.000000D+00 -0.136855D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.111578D+02  0.506016D+00
                11            12            13            14            15 
      1  -0.136855D+01  0.506016D+00  0.810054D+00 -0.661403D-01  0.127392D+01
      2   0.871542D+01  0.402069D+00 -0.661403D-01  0.127954D+02 -0.119972D+01
      3   0.402069D+00 -0.423643D+01  0.127392D+01 -0.119972D+01 -0.145193D+02
                16            17            18            19            20 
      1  -0.861872D+00  0.160709D+01 -0.132339D+01  0.562492D+00 -0.355458D+01
      2   0.160709D+01 -0.257236D+02 -0.376171D+01 -0.355458D+01 -0.563874D+01
      3  -0.132339D+01 -0.376171D+01  0.202447D+02 -0.224188D+01  0.667179D+00
                21            22            23            24            25 
      1  -0.224188D+01 -0.124612D+01  0.574154D+01  0.736577D+01 -0.855782D+00
      2   0.667179D+00  0.574154D+01 -0.251442D+02 -0.499917D+02  0.232576D+01
      3   0.261859D+01  0.736577D+01 -0.499917D+02 -0.690679D+02  0.371195D+01
                26            27            28            29            30 
      1   0.232576D+01  0.371195D+01 -0.562492D+00  0.355458D+01 -0.224188D+01
      2  -0.321276D+02 -0.794578D+01  0.355458D+01  0.563874D+01  0.667179D+00
      3  -0.794578D+01 -0.257993D+02 -0.224188D+01  0.667179D+00 -0.261859D+01
                31            32            33            34            35 
      1   0.124612D+01 -0.574154D+01  0.736577D+01 -0.855782D+00  0.232576D+01
      2  -0.574154D+01  0.251442D+02 -0.499917D+02  0.232576D+01 -0.321276D+02
      3   0.736577D+01 -0.499917D+02  0.690679D+02 -0.371195D+01  0.794578D+01
                36            37            38            39            40 
      1  -0.371195D+01 -0.255289D+00  0.136856D+01  0.506016D+00 -0.810054D+00
      2   0.794578D+01  0.136856D+01 -0.871542D+01  0.402069D+00  0.661403D-01
      3  -0.257993D+02  0.506016D+00  0.402069D+00  0.423643D+01  0.127392D+01
                41            42            43            44            45 
      1   0.661403D-01  0.127392D+01 -0.861872D+00  0.160709D+01  0.132339D+01
      2  -0.127954D+02 -0.119972D+01  0.160709D+01 -0.257236D+02  0.376171D+01
      3  -0.119972D+01  0.145193D+02  0.132339D+01  0.376171D+01  0.202447D+02
                46            47            48            49            50 
      1  -0.112755D+01  0.174510D+01  0.783273D+01 -0.381492D+01 -0.141213D+01
      2   0.174510D+01 -0.579870D+01 -0.688062D+00 -0.141213D+01  0.256515D+02
      3   0.783273D+01 -0.688062D+00  0.353102D+01  0.258410D+01  0.240874D+00
                51            52            53            54            55 
      1   0.258410D+01  0.132064D+01 -0.124399D+01  0.116249D+01  0.198848D+00
      2   0.240874D+00 -0.124399D+01  0.277661D+02  0.118166D+01 -0.421070D+00
      3  -0.343193D+02  0.116249D+01  0.118166D+01 -0.759764D+01 -0.963266D+00
                56            57            58            59            60 
      1  -0.421070D+00 -0.963266D+00 -0.651119D-01 -0.138526D+00  0.183553D+00
      2   0.177651D+00  0.671840D-01 -0.138526D+00 -0.968490D+00  0.141988D+01
      3   0.671840D-01 -0.819275D+00  0.183553D+00  0.141988D+01 -0.223098D+01
                61            62            63            64            65 
      1   0.605372D+00 -0.518765D-03 -0.481456D+00 -0.159123D+01  0.459368D+01
      2  -0.518765D-03  0.184607D+01 -0.100022D+01  0.459368D+01 -0.375293D+00
      3  -0.481456D+00 -0.100022D+01  0.734919D+01  0.661943D+01  0.964932D-01
                66            67            68            69            70 
      1   0.661943D+01  0.189184D+01  0.543435D+00 -0.267587D+01  0.442009D+01
      2   0.964932D-01  0.543435D+00 -0.171568D+02  0.957447D+01 -0.627812D+00
      3   0.526124D-01 -0.267587D+01  0.957447D+01  0.385573D+02  0.172629D+01
                71            72            73            74            75 
      1  -0.627812D+00  0.172629D+01  0.103011D+00 -0.431725D+00 -0.784419D+00
      2   0.218845D+02  0.104569D+01 -0.431725D+00 -0.123459D+00 -0.639786D+00
      3   0.104569D+01 -0.135636D+02 -0.784419D+00 -0.639786D+00 -0.105630D+01
                76            77            78            79            80 
      1   0.338567D+00 -0.486539D+00 -0.470350D+00  0.572462D+00 -0.639462D+00
      2  -0.486539D+00  0.507217D+01  0.446412D+01 -0.639462D+00  0.547404D+01
      3  -0.470350D+00  0.446412D+01  0.444544D+01 -0.100767D+01  0.695714D+01
                81            82            83            84            85 
      1  -0.100767D+01 -0.106704D+01  0.852434D+01  0.273598D+01  0.408595D+01
      2   0.695714D+01  0.852434D+01  0.255751D+00 -0.933126D+00 -0.109112D+01
      3   0.113226D+02  0.273598D+01 -0.933126D+00 -0.275259D+01 -0.198888D+01
                86            87            88            89            90 
      1  -0.109112D+01 -0.198888D+01 -0.251508D+01 -0.426287D+00 -0.326947D+01
      2   0.168514D+02  0.157557D+02 -0.426287D+00 -0.525342D+01  0.176233D+02
      3   0.157557D+02  0.232605D+02 -0.326947D+01  0.176233D+02  0.331115D+02
                91            92            93            94            95 
      1   0.104330D+00 -0.972351D+00 -0.432510D+00  0.598066D+00 -0.707528D+00
      2  -0.972351D+00 -0.958822D+00 -0.238249D+00 -0.707528D+00  0.155087D+02
      3  -0.432510D+00 -0.238249D+00  0.776667D-01  0.906433D-01  0.634921D-01
                96            97            98            99           100 
      1   0.906433D-01 -0.993565D-01  0.930964D-02 -0.142939D+00  0.537932D+00
      2   0.634921D-01  0.930964D-02 -0.328087D+01  0.133029D+01  0.546125D+00
      3  -0.111823D+01 -0.142939D+00  0.133029D+01  0.872022D+00 -0.267983D+01
               101           102           103           104           105 
      1   0.546125D+00 -0.267983D+01 -0.210149D+01  0.207265D+01  0.158120D+01
      2  -0.179408D+01  0.249081D+01  0.207265D+01 -0.172567D+02 -0.213982D+02
      3   0.249081D+01  0.532463D+01  0.158120D+01 -0.213982D+02 -0.118707D+02
               106           107           108           109           110 
      1   0.106853D+00  0.212806D+01  0.291572D+01  0.373612D+00  0.191978D+01
      2   0.212806D+01 -0.197909D+02 -0.222950D+02  0.191978D+01  0.371745D+00
      3   0.291572D+01 -0.222950D+02 -0.317876D+02 -0.336550D+01 -0.330710D+00
               111           112           113           114           115 
      1  -0.336550D+01  0.111830D+01 -0.516671D+01 -0.615043D+01 -0.218296D+01
      2  -0.330710D+00 -0.516671D+01  0.414208D+02  0.473431D+02 -0.947777D+00
      3   0.594097D+00 -0.615043D+01  0.473431D+02  0.680091D+02 -0.775741D+00
               116           117           118           119           120 
      1  -0.947777D+00 -0.775741D+00  0.156260D+00  0.685517D+00 -0.988329D-01
      2   0.104229D+02  0.114463D+02  0.685517D+00  0.319332D+01 -0.513211D+00
      3   0.114463D+02  0.117061D+02 -0.988329D-01 -0.513211D+00 -0.245719D+01
               121           122           123           124           125 
      1   0.600817D+00  0.329956D+00 -0.617965D-01 -0.242741D+00 -0.353269D+00
      2   0.329956D+00  0.690609D+01 -0.508665D+01 -0.353269D+00 -0.151925D+01
      3  -0.617965D-01 -0.508665D+01  0.349149D+01 -0.158598D+00  0.522427D+01
               126           127           128           129           130 
      1  -0.158598D+00 -0.773733D+01  0.345799D+01  0.454366D+01  0.196382D+01
      2   0.522427D+01  0.345799D+01  0.121747D+01 -0.804466D+01 -0.843170D+00
      3  -0.135365D+01  0.454366D+01 -0.804466D+01 -0.117912D+02 -0.221500D+01
               131           132           133           134           135 
      1  -0.843170D+00 -0.221500D+01  0.136945D+01 -0.269749D+01 -0.363512D+01
      2   0.123310D+02  0.446316D+01 -0.269749D+01  0.696909D+01  0.726182D+01
      3   0.446316D+01  0.410085D+01 -0.363512D+01  0.726182D+01  0.236674D+02
               136           137           138           139           140 
      1   0.737637D+01 -0.204409D+01 -0.557500D+01 -0.758705D+00  0.109445D+01
      2  -0.204409D+01  0.116763D+01  0.506284D+01  0.109445D+01 -0.262137D+01
      3  -0.557500D+01  0.506284D+01  0.121042D+02  0.354086D+00 -0.108652D+01
               141           142           143           144           145 
      1   0.354086D+00 -0.359050D+00  0.451181D+00  0.165538D+01  0.593645D+01
      2  -0.108652D+01  0.451181D+00 -0.161726D+01 -0.932619D+00 -0.203109D+01
      3   0.185782D+00  0.165538D+01 -0.932619D+00 -0.584280D+01  0.924298D-01
               146           147           148           149           150 
      1  -0.203109D+01  0.924298D-01 -0.128515D+01 -0.228343D+01  0.722306D-01
      2  -0.270535D+01  0.148053D+01 -0.228343D+01 -0.300338D+01  0.867937D+00
      3   0.148053D+01 -0.269023D+01  0.722306D-01  0.867937D+00  0.785203D+01
               151           152           153           154           155 
      1  -0.225778D+00  0.214651D+00 -0.107176D+01  0.606288D+00  0.171793D+01
      2   0.214651D+00  0.179566D+00  0.303101D+01  0.171793D+01  0.256225D+01
      3  -0.107176D+01  0.303101D+01 -0.549010D+01 -0.551630D+00 -0.859972D+00
               156           157           158           159           160 
      1  -0.551630D+00  0.121181D+01  0.169515D+01 -0.318562D+00 -0.113289D+00
      2  -0.859972D+00  0.169515D+01  0.753709D+01 -0.230372D+01 -0.160629D+00
      3   0.222056D+01 -0.318562D+00 -0.230372D+01  0.220204D+01  0.736858D+00
               161           162           163           164           165 
      1  -0.160629D+00  0.736858D+00 -0.641493D+01  0.176685D+01 -0.143858D+01
      2  -0.524442D+00  0.124922D+01  0.176685D+01 -0.150873D+01  0.633690D+00
      3   0.124922D+01 -0.458734D+00 -0.143858D+01  0.633690D+00 -0.316200D+01
               166           167           168           169           170 
      1   0.798858D+00 -0.918055D+00  0.376017D+00 -0.849084D-02 -0.272851D-01
      2  -0.918055D+00  0.133921D+01 -0.547634D+00 -0.272851D-01 -0.317989D-01
      3   0.376017D+00 -0.547634D+00 -0.873550D+00 -0.963980D+00  0.185121D+00
               171           172           173           174           175 
      1  -0.963980D+00 -0.677205D+01 -0.371930D+00  0.178899D+01  0.177506D+00
      2   0.185121D+00 -0.371930D+00  0.189011D+01 -0.826511D+00  0.171871D+01
      3   0.435879D+00  0.178899D+01 -0.826511D+00  0.464877D+01 -0.580630D+00
               176           177           178           179           180 
      1   0.171871D+01 -0.580630D+00  0.623262D+00 -0.260796D+00  0.236525D+01
      2   0.177025D+01  0.683177D+00 -0.260796D+00  0.771006D+00 -0.597721D+01
      3   0.683177D+00 -0.850093D+01  0.236525D+01 -0.597721D+01  0.266833D+01
               181           182           183           184           185 
      1   0.766775D+01  0.850404D+00 -0.302194D+01 -0.126511D+00  0.743728D+00
      2   0.850404D+00  0.138241D+01 -0.193092D+00  0.743728D+00 -0.201939D+00
      3  -0.302194D+01 -0.193092D+00  0.330208D+01 -0.259852D-01 -0.563486D+00
               186           187           188           189           190 
      1  -0.259852D-01 -0.707746D+00 -0.593036D-01  0.122122D+01 -0.223580D+00
      2  -0.563486D+00 -0.593036D-01 -0.111762D+00  0.815600D+00  0.751842D+00
      3   0.696905D+00  0.122122D+01  0.815600D+00 -0.118074D+01 -0.189125D+01
               191           192           193           194           195 
      1   0.751842D+00 -0.189125D+01  0.558785D+00 -0.684261D+00  0.428169D+00
      2  -0.124741D+01  0.982654D+00 -0.684261D+00  0.255252D+01 -0.337280D+01
      3   0.982654D+00 -0.401603D+01  0.428169D+00 -0.337280D+01  0.613733D+01
               196           197           198           199           200 
      1  -0.949199D+00  0.282691D+00 -0.131552D+01  0.677205D+01  0.371930D+00
      2   0.282691D+00 -0.236705D+01  0.405205D+01  0.371930D+00 -0.189011D+01
      3  -0.131552D+01  0.405205D+01 -0.127247D+02  0.178899D+01 -0.826511D+00
               201           202           203           204           205 
      1   0.178899D+01 -0.177506D+00 -0.171871D+01 -0.580630D+00  0.623262D+00
      2  -0.826511D+00 -0.171871D+01 -0.177025D+01  0.683177D+00 -0.260796D+00
      3  -0.464877D+01 -0.580630D+00  0.683177D+00  0.850093D+01 -0.236525D+01
               206           207           208           209           210 
      1  -0.260796D+00 -0.236525D+01  0.223580D+00 -0.751842D+00 -0.189125D+01
      2   0.771006D+00  0.597721D+01 -0.751842D+00  0.124741D+01  0.982654D+00
      3   0.597721D+01  0.266833D+01 -0.189125D+01  0.982654D+00  0.401603D+01
               211           212           213           214           215 
      1  -0.558785D+00  0.684261D+00  0.428169D+00 -0.949199D+00  0.282691D+00
      2   0.684261D+00 -0.255252D+01 -0.337280D+01  0.282691D+00 -0.236705D+01
      3   0.428169D+00 -0.337280D+01 -0.613733D+01  0.131552D+01 -0.405205D+01
               216           217           218           219           220 
      1   0.131552D+01 -0.766775D+01 -0.850404D+00 -0.302194D+01  0.126511D+00
      2  -0.405205D+01 -0.850404D+00 -0.138241D+01 -0.193092D+00 -0.743728D+00
      3  -0.127247D+02 -0.302194D+01 -0.193092D+00 -0.330208D+01 -0.259852D-01
               221           222           223           224           225 
      1  -0.743728D+00 -0.259852D-01 -0.707746D+00 -0.593036D-01 -0.122122D+01
      2   0.201939D+00 -0.563486D+00 -0.593036D-01 -0.111762D+00 -0.815600D+00
      3  -0.563486D+00 -0.696905D+00 -0.122122D+01 -0.815600D+00 -0.118074D+01
               226           227           228           229           230 
      1  -0.593645D+01  0.203109D+01  0.924297D-01  0.128515D+01  0.228343D+01
      2   0.203109D+01  0.270535D+01  0.148053D+01  0.228343D+01  0.300338D+01
      3   0.924297D-01  0.148053D+01  0.269023D+01  0.722306D-01  0.867938D+00
               231           232           233           234           235 
      1   0.722306D-01 -0.225778D+00  0.214651D+00  0.107176D+01  0.641493D+01
      2   0.867938D+00  0.214651D+00  0.179566D+00 -0.303101D+01 -0.176685D+01
      3  -0.785203D+01  0.107176D+01 -0.303101D+01 -0.549010D+01 -0.143858D+01
               236           237           238           239           240 
      1  -0.176685D+01 -0.143858D+01 -0.798858D+00  0.918055D+00  0.376017D+00
      2   0.150873D+01  0.633690D+00  0.918055D+00 -0.133921D+01 -0.547634D+00
      3   0.633690D+00  0.316200D+01  0.376017D+00 -0.547634D+00  0.873550D+00
               241           242           243           244           245 
      1  -0.849085D-02 -0.272851D-01  0.963980D+00 -0.606288D+00 -0.171793D+01
      2  -0.272851D-01 -0.317989D-01 -0.185121D+00 -0.171793D+01 -0.256225D+01
      3   0.963980D+00 -0.185121D+00  0.435879D+00 -0.551630D+00 -0.859972D+00
               246           247           248           249           250 
      1  -0.551630D+00 -0.121181D+01 -0.169515D+01 -0.318562D+00 -0.113289D+00
      2  -0.859972D+00 -0.169515D+01 -0.753709D+01 -0.230372D+01 -0.160629D+00
      3  -0.222056D+01 -0.318562D+00 -0.230372D+01 -0.220204D+01 -0.736858D+00
               251           252           253           254           255 
      1  -0.160629D+00 -0.736858D+00  0.773733D+01 -0.345799D+01  0.454366D+01
      2  -0.524442D+00 -0.124922D+01 -0.345799D+01 -0.121747D+01 -0.804466D+01
      3  -0.124922D+01 -0.458734D+00  0.454366D+01 -0.804466D+01  0.117912D+02
               256           257           258           259           260 
      1  -0.196382D+01  0.843170D+00 -0.221500D+01  0.136945D+01 -0.269749D+01
      2   0.843170D+00 -0.123310D+02  0.446316D+01 -0.269749D+01  0.696909D+01
      3  -0.221500D+01  0.446316D+01 -0.410085D+01  0.363512D+01 -0.726182D+01
               261           262           263           264           265 
      1   0.363512D+01 -0.737637D+01  0.204409D+01 -0.557500D+01  0.758705D+00
      2  -0.726182D+01  0.204409D+01 -0.116763D+01  0.506284D+01 -0.109445D+01
      3   0.236674D+02 -0.557500D+01  0.506284D+01 -0.121042D+02  0.354086D+00
               266           267           268           269           270 
      1  -0.109445D+01  0.354086D+00 -0.359050D+00  0.451181D+00 -0.165538D+01
      2   0.262137D+01 -0.108652D+01  0.451181D+00 -0.161726D+01  0.932619D+00
      3  -0.108652D+01 -0.185782D+00 -0.165538D+01  0.932619D+00 -0.584280D+01
               271           272           273           274           275 
      1  -0.373611D+00 -0.191978D+01 -0.336550D+01 -0.111830D+01  0.516671D+01
      2  -0.191978D+01 -0.371746D+00 -0.330709D+00  0.516671D+01 -0.414208D+02
      3  -0.336550D+01 -0.330709D+00 -0.594097D+00 -0.615043D+01  0.473431D+02
               276           277           278           279           280 
      1  -0.615043D+01 -0.218296D+01 -0.947777D+00  0.775742D+00 -0.156260D+00
      2   0.473431D+02 -0.947777D+00  0.104229D+02 -0.114463D+02 -0.685517D+00
      3  -0.680091D+02  0.775742D+00 -0.114463D+02  0.117061D+02 -0.988330D-01
               281           282           283           284           285 
      1  -0.685517D+00 -0.988330D-01 -0.600817D+00 -0.329956D+00 -0.617965D-01
      2  -0.319332D+01 -0.513210D+00 -0.329956D+00 -0.690609D+01 -0.508665D+01
      3  -0.513210D+00  0.245719D+01 -0.617965D-01 -0.508665D+01 -0.349149D+01
               286           287           288           289           290 
      1  -0.242741D+00 -0.353269D+00  0.158598D+00 -0.537932D+00 -0.546124D+00
      2  -0.353269D+00 -0.151925D+01 -0.522427D+01 -0.546124D+00  0.179408D+01
      3   0.158598D+00 -0.522427D+01 -0.135365D+01 -0.267983D+01  0.249081D+01
               291           292           293           294           295 
      1  -0.267983D+01  0.210149D+01 -0.207265D+01  0.158120D+01  0.106853D+00
      2   0.249081D+01 -0.207265D+01  0.172567D+02 -0.213982D+02  0.212806D+01
      3  -0.532463D+01  0.158120D+01 -0.213982D+02  0.118707D+02 -0.291572D+01
               296           297           298           299           300 
      1   0.212806D+01 -0.291572D+01  0.106704D+01 -0.852434D+01  0.273598D+01
      2  -0.197909D+02  0.222950D+02 -0.852434D+01 -0.255752D+00 -0.933126D+00
      3   0.222950D+02 -0.317876D+02  0.273598D+01 -0.933126D+00  0.275259D+01
               301           302           303           304           305 
      1  -0.408595D+01  0.109112D+01 -0.198888D+01 -0.251507D+01 -0.426286D+00
      2   0.109112D+01 -0.168514D+02  0.157557D+02 -0.426286D+00 -0.525342D+01
      3  -0.198888D+01  0.157557D+02 -0.232605D+02  0.326947D+01 -0.176233D+02
               306           307           308           309           310 
      1   0.326947D+01 -0.104330D+00  0.972352D+00 -0.432510D+00 -0.598066D+00
      2  -0.176233D+02  0.972352D+00  0.958822D+00 -0.238249D+00  0.707528D+00
      3   0.331115D+02 -0.432510D+00 -0.238249D+00 -0.776666D-01  0.906433D-01
               311           312           313           314           315 
      1   0.707528D+00  0.906433D-01 -0.993565D-01  0.930962D-02  0.142939D+00
      2  -0.155087D+02  0.634921D-01  0.930962D-02 -0.328087D+01 -0.133029D+01
      3   0.634921D-01  0.111823D+01  0.142939D+00 -0.133029D+01  0.872022D+00
               316           317           318           319           320 
      1   0.159123D+01 -0.459368D+01  0.661943D+01 -0.189184D+01 -0.543434D+00
      2  -0.459368D+01  0.375294D+00  0.964929D-01 -0.543434D+00  0.171568D+02
      3   0.661943D+01  0.964929D-01 -0.526122D-01 -0.267587D+01  0.957447D+01
               321           322           323           324           325 
      1  -0.267587D+01  0.442009D+01 -0.627812D+00 -0.172629D+01 -0.103011D+00
      2   0.957447D+01 -0.627812D+00  0.218845D+02 -0.104569D+01  0.431725D+00
      3  -0.385573D+02 -0.172629D+01 -0.104569D+01 -0.135636D+02 -0.784419D+00
               326           327           328           329           330 
      1   0.431725D+00 -0.784419D+00 -0.338567D+00  0.486539D+00 -0.470350D+00
      2   0.123459D+00 -0.639786D+00  0.486539D+00 -0.507217D+01  0.446412D+01
      3  -0.639786D+00  0.105630D+01 -0.470350D+00  0.446412D+01 -0.444544D+01
               331           332           333           334           335 
      1   0.572462D+00 -0.639462D+00  0.100767D+01  0.112755D+01 -0.174510D+01
      2  -0.639462D+00  0.547404D+01 -0.695714D+01 -0.174510D+01  0.579870D+01
      3   0.100767D+01 -0.695714D+01  0.113226D+02  0.783274D+01 -0.688062D+00
               336           337           338           339           340 
      1   0.783274D+01  0.381492D+01  0.141213D+01  0.258410D+01  0.132064D+01
      2  -0.688062D+00  0.141213D+01 -0.256515D+02  0.240874D+00 -0.124399D+01
      3  -0.353102D+01  0.258410D+01  0.240874D+00  0.343193D+02 -0.116249D+01
               341           342           343           344           345 
      1  -0.124399D+01 -0.116249D+01 -0.198848D+00  0.421070D+00 -0.963266D+00
      2   0.277661D+02 -0.118166D+01  0.421070D+00 -0.177651D+00  0.671842D-01
      3  -0.118166D+01 -0.759764D+01 -0.963266D+00  0.671842D-01  0.819275D+00
               346           347           348           349           350 
      1   0.651119D-01  0.138526D+00  0.183553D+00  0.605372D+00 -0.518737D-03
      2   0.138526D+00  0.968490D+00  0.141988D+01 -0.518737D-03  0.184607D+01
      3   0.183553D+00  0.141988D+01  0.223098D+01  0.481456D+00  0.100022D+01
               351 
      1   0.481456D+00
      2   0.100022D+01
      3   0.734919D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273243D-04 -0.918923D-03  0.224607D+02  0.195682D-03 -0.399880D-03
      2   0.655287D-04  0.219186D-03 -0.242081D+03 -0.227080D-03 -0.398271D-03
      3   0.190930D+02 -0.501147D+03 -0.318206D-04 -0.232965D+02 -0.941606D+02
                 6             7             8             9            10 
      1  -0.379829D+02 -0.138412D+02 -0.435795D+03 -0.588182D-03 -0.267745D+02
      2  -0.942736D+02  0.179072D+03 -0.209307D+04 -0.791549D-03 -0.420906D+01
      3   0.352711D-03 -0.196836D-04 -0.436602D-03 -0.502058D+03 -0.100369D+02
                11            12            13            14            15 
      1   0.518558D+02  0.148325D+02 -0.204202D+02 -0.337048D+03  0.154498D+03
      2  -0.426260D+03 -0.588144D+02  0.134224D+03 -0.133308D+04  0.354945D+02
      3  -0.204548D+01  0.339127D+03 -0.562266D+01  0.997199D+02 -0.281179D+03
                16            17            18            19            20 
      1   0.153661D+01 -0.113641D+03 -0.150469D+03  0.445265D+02 -0.981766D+02
      2   0.541998D+02 -0.582602D+03  0.120065D+03  0.954869D+01  0.524227D+03
      3  -0.957594D+01  0.189032D+03 -0.292867D+03  0.168213D+02 -0.324889D+02
                21            22            23            24            25 
      1  -0.119989D+02 -0.522094D+02 -0.385590D+01  0.363004D+03  0.280442D+01
      2   0.147180D+03  0.135605D+03 -0.152820D+04 -0.172672D+03 -0.191596D+03
      3  -0.555255D+03  0.472754D+02 -0.323242D+03 -0.385045D+03  0.732178D+01
                26            27            28            29            30 
      1   0.423916D+03  0.607092D+02 -0.445264D+02  0.981767D+02 -0.119989D+02
      2   0.193374D+04 -0.458823D+02 -0.954866D+01 -0.524227D+03  0.147180D+03
      3  -0.474790D+02  0.477223D+03  0.168212D+02 -0.324888D+02  0.555255D+03
                31            32            33            34            35 
      1   0.522094D+02  0.385570D+01  0.363004D+03  0.280438D+01  0.423916D+03
      2  -0.135605D+03  0.152820D+04 -0.172672D+03 -0.191596D+03  0.193374D+04
      3   0.472753D+02 -0.323242D+03  0.385045D+03 -0.732184D+01  0.474788D+02
                36            37            38            39            40 
      1  -0.607092D+02  0.267746D+02 -0.518559D+02  0.148324D+02  0.204202D+02
      2   0.458826D+02  0.420907D+01  0.426260D+03 -0.588145D+02 -0.134224D+03
      3   0.477223D+03 -0.100369D+02 -0.204539D+01 -0.339127D+03 -0.562270D+01
                41            42            43            44            45 
      1   0.337048D+03  0.154498D+03  0.153660D+01 -0.113641D+03  0.150469D+03
      2   0.133308D+04  0.354945D+02  0.541998D+02 -0.582602D+03 -0.120065D+03
      3   0.997198D+02  0.281179D+03  0.957598D+01 -0.189032D+03 -0.292867D+03
                46            47            48            49            50 
      1  -0.431703D+02 -0.519840D+01 -0.187739D+02 -0.213209D+02  0.199753D+02
      2  -0.222264D+02  0.257805D+03  0.545856D+02  0.738433D+02 -0.407221D+03
      3  -0.183330D+01  0.139802D+03 -0.472088D+02  0.184763D+02 -0.135519D+03
                51            52            53            54            55 
      1   0.207328D+03 -0.117385D+02  0.748330D+02  0.736032D+02  0.393553D+01
      2  -0.932427D+02  0.129512D+02 -0.922611D+02 -0.121963D+03  0.128697D+01
      3  -0.841580D+02  0.252882D+02 -0.201834D+03  0.306397D+02 -0.225344D+01
                56            57            58            59            60 
      1  -0.146799D+01  0.292525D+01 -0.867445D+00 -0.220769D+02  0.228541D+02
      2  -0.332284D+02 -0.549243D+01  0.128474D+01  0.299124D+01  0.121216D+01
      3  -0.477696D+00  0.353573D+02  0.801564D+00 -0.410889D+01  0.630113D+01
                61            62            63            64            65 
      1   0.259628D+01  0.762031D+01 -0.325866D+02 -0.160253D+02  0.703519D+00
      2  -0.316141D+01 -0.198557D+02 -0.404405D+01  0.300561D+01  0.453995D+02
      3   0.126513D+01  0.338893D+00 -0.303636D+01  0.232400D+01  0.191039D+02
                66            67            68            69            70 
      1   0.543377D+00  0.188648D+02 -0.109262D+03 -0.205540D+03 -0.109998D+02
      2  -0.619807D+01 -0.226702D+02  0.109443D+03  0.104376D+03  0.140833D+02
      3  -0.170145D+02 -0.278738D+02  0.189374D+03 -0.119323D+02  0.281414D+02
                71            72            73            74            75 
      1   0.408780D+02  0.808619D+02  0.323081D+01  0.740461D+00  0.256161D+01
      2  -0.240461D+03 -0.541979D+02  0.126247D+01 -0.345369D+02 -0.386150D+00
      3  -0.933442D+02 -0.138558D+02 -0.689686D+00 -0.289037D+02  0.222595D+01
                76            77            78            79            80 
      1   0.266403D+00 -0.579578D+01 -0.414308D+01  0.226963D+01 -0.128970D+02
      2   0.813787D+00 -0.287618D+02  0.278996D+00 -0.269064D+01 -0.115431D+02
      3   0.237044D+01  0.689228D+00 -0.110905D+02  0.734974D+01 -0.450651D+01
                81            82            83            84            85 
      1  -0.276960D+02  0.176536D+01  0.315623D+01  0.112134D+02  0.793301D+01
      2  -0.374456D+01 -0.423684D+01 -0.165339D+02  0.113181D+02 -0.148641D+02
      3  -0.287144D+01 -0.339270D+01  0.253138D+02  0.336056D+02  0.571482D+01
                86            87            88            89            90 
      1  -0.585784D+02 -0.925496D+02  0.154445D+02 -0.100826D+03 -0.118467D+03
      2   0.396976D+02  0.483876D+02 -0.100099D+02  0.155967D+03  0.966523D+02
      3   0.821239D+02 -0.740370D+01 -0.404981D+02  0.187149D+03 -0.487864D+01
                91            92            93            94            95 
      1   0.175426D+01  0.300180D+01 -0.428339D+00 -0.205495D+01  0.244883D+02
      2  -0.234919D+00  0.179686D+02  0.281533D+01  0.328228D+01 -0.206693D+02
      3   0.220988D+01 -0.242477D+02 -0.267056D+02  0.634318D+01 -0.151724D+01
                96            97            98            99           100 
      1   0.484326D+01  0.782240D+00 -0.118361D+02 -0.874418D+00  0.147374D+02
      2  -0.579596D+00 -0.148163D+01 -0.408416D+01  0.136114D+01 -0.154680D+02
      3  -0.617276D+01 -0.156097D+01  0.175369D+01 -0.253058D+01  0.316558D+01
               101           102           103           104           105 
      1  -0.190746D+02 -0.300803D+02  0.547249D+00  0.610919D+02 -0.725185D+02
      2   0.278137D+03  0.118616D+03 -0.361240D+01  0.301623D+02 -0.359543D+02
      3  -0.499777D+02 -0.113730D+03  0.151122D+02 -0.107961D+03 -0.279926D+01
               106           107           108           109           110 
      1  -0.137107D+02 -0.249239D+01  0.176389D+03  0.906857D+01  0.702804D+01
      2   0.364327D+02 -0.377769D+03 -0.945584D+02  0.649811D+01 -0.180524D+03
      3   0.227411D+02 -0.155646D+03 -0.230249D+02  0.103536D+01  0.306945D+02
               111           112           113           114           115 
      1   0.798792D+01  0.339904D+02 -0.203988D+03 -0.407738D+03  0.358287D+01
      2   0.308256D+01 -0.400459D+01  0.121777D+03  0.149723D+03 -0.262567D+02
      3   0.304481D+02 -0.344431D+02  0.238274D+03  0.429241D+02 -0.464335D+02
               116           117           118           119           120 
      1   0.124785D+02 -0.365023D+02 -0.733853D+01  0.100270D+02  0.136846D+02
      2   0.378298D+03  0.146198D+03  0.812617D+01 -0.205990D+03 -0.647379D+02
      3   0.250984D+03  0.231075D+02 -0.540109D+01  0.409103D+02  0.125971D+03
               121           122           123           124           125 
      1  -0.191360D+01 -0.620715D+01 -0.973742D+01  0.229258D+00 -0.147563D+02
      2   0.178146D+02 -0.125215D+03  0.707477D+01  0.379568D+01 -0.321153D+02
      3   0.389958D+01  0.588874D+01 -0.437456D+02 -0.526554D+01  0.148760D+01
               126           127           128           129           130 
      1  -0.317079D+01 -0.243750D+02  0.481825D+02  0.414520D+02  0.543825D+01
      2  -0.422121D+01 -0.189560D+02 -0.355582D+02  0.454101D+01  0.360643D+02
      3   0.108553D+02 -0.136147D+02  0.806678D+02  0.111681D+03  0.715606D+01
               131           132           133           134           135 
      1  -0.115087D+03 -0.275909D+02  0.139014D+02 -0.414343D+02 -0.768373D+02
      2  -0.374210D+03  0.120851D+01  0.103193D+02 -0.138529D+03  0.132298D+02
      3  -0.184502D+02 -0.639366D+02  0.343089D+01 -0.159197D+02  0.120492D+02
               136           137           138           139           140 
      1   0.162433D+02 -0.123063D+02 -0.415054D+02 -0.334601D+01  0.138869D+02
      2   0.141195D+02  0.220406D+01  0.665691D+01 -0.180763D+01  0.168705D+02
      3   0.398016D+01 -0.134697D+02 -0.952430D+01  0.714716D-01  0.107145D+01
               141           142           143           144           145 
      1  -0.165829D+01 -0.318251D+01  0.877827D+01  0.159779D+02  0.681931D+01
      2   0.399673D+01 -0.352840D+01  0.444009D+02 -0.355991D+01  0.235672D+02
      3  -0.127332D+02  0.147040D+01 -0.200742D+02 -0.883118D+01  0.108399D+02
               146           147           148           149           150 
      1   0.443521D+01 -0.257674D+01  0.113394D+02  0.247346D+02 -0.249922D+02
      2  -0.602875D+02  0.840726D+01 -0.126459D+02  0.402990D+02 -0.484055D+00
      3  -0.105328D+02  0.914219D+01 -0.171505D+01  0.164076D+02  0.328712D+02
               151           152           153           154           155 
      1   0.180737D+01  0.515960D+01 -0.611859D+01 -0.601902D+01 -0.103785D+02
      2  -0.699474D+01  0.252064D+02 -0.564057D+01  0.165459D+01  0.663363D+01
      3   0.277154D+00  0.119586D+02  0.341080D+02  0.123154D+01  0.417408D+01
               156           157           158           159           160 
      1  -0.237507D+01 -0.663870D+01 -0.303766D+02  0.539974D+00 -0.107622D+01
      2  -0.821146D+00  0.511051D+01 -0.169403D+01  0.755866D+00 -0.469496D+00
      3  -0.298842D+01  0.507757D+01  0.414174D+01 -0.178852D+01 -0.225419D+00
               161           162           163           164           165 
      1  -0.105083D+01 -0.611506D+01 -0.446688D+01  0.604692D+01  0.516595D+01
      2  -0.187513D+01  0.200755D+01 -0.228741D+02  0.880975D+01 -0.943662D+00
      3  -0.253198D+01 -0.325153D+01 -0.121585D+02 -0.848352D+00 -0.980900D+00
               166           167           168           169           170 
      1   0.306803D+01 -0.473246D+01  0.260530D+01  0.166294D+01  0.847801D+00
      2   0.254929D+01 -0.838941D+00  0.492680D+00 -0.551670D+00 -0.652149D+01
      3   0.221850D+01 -0.101315D+01  0.964534D-01  0.282008D+00 -0.182885D+01
               171           172           173           174           175 
      1  -0.340435D+01  0.297648D+00 -0.606814D+01 -0.185172D+01 -0.959106D+01
      2  -0.431352D+01 -0.347159D+02  0.180714D+02  0.152684D+02  0.403176D+01
      3   0.233549D+01 -0.510178D+01 -0.388835D+01  0.999013D+01  0.148976D+01
               176           177           178           179           180 
      1  -0.187086D+02  0.485360D+01 -0.108743D+01  0.936856D+01  0.347827D+02
      2  -0.932703D+01 -0.613900D+01  0.101606D+01  0.595446D+01  0.819107D+01
      3  -0.391957D+01 -0.134481D+02  0.813966D+00  0.172402D+00  0.148852D+02
               181           182           183           184           185 
      1  -0.191687D+01 -0.886925D+01 -0.202696D+01 -0.372740D+01  0.262433D+01
      2   0.364241D+02  0.351192D+01 -0.911509D+01 -0.717686D+00  0.215924D+01
      3   0.665118D+01 -0.386056D+01 -0.429712D+01  0.651977D+00  0.193164D+01
               186           187           188           189           190 
      1   0.272260D+00 -0.692172D+00  0.284204D+00 -0.410276D+01 -0.206412D+01
      2  -0.158274D+00 -0.345471D+01 -0.161030D+01  0.706318D+01 -0.158628D+01
      3   0.896220D+00 -0.582564D+00  0.149420D+01 -0.459248D+00 -0.537158D+00
               191           192           193           194           195 
      1   0.633154D+01  0.205644D-01  0.341009D+01 -0.103979D+02  0.860991D+01
      2   0.322842D+01 -0.887157D+01  0.347278D+01 -0.246561D+01  0.336603D+01
      3  -0.125340D+01 -0.544816D+01  0.194437D+01  0.393080D+00  0.410315D+01
               196           197           198           199           200 
      1   0.219668D-03  0.145690D+02 -0.804517D+01 -0.297664D+00  0.606821D+01
      2  -0.944088D+01  0.149856D+02 -0.967326D+01  0.347158D+02 -0.180714D+02
      3  -0.211168D+01  0.289144D+01  0.143242D+01 -0.510178D+01 -0.388837D+01
               201           202           203           204           205 
      1  -0.185176D+01  0.959105D+01  0.187086D+02  0.485357D+01 -0.108743D+01
      2   0.152684D+02 -0.403174D+01  0.932702D+01 -0.613899D+01  0.101607D+01
      3  -0.999013D+01  0.148977D+01 -0.391956D+01  0.134481D+02 -0.813976D+00
               206           207           208           209           210 
      1   0.936855D+01 -0.347827D+02  0.206412D+01 -0.633155D+01  0.205598D-01
      2   0.595444D+01 -0.819107D+01  0.158628D+01 -0.322842D+01 -0.887157D+01
      3  -0.172396D+00  0.148852D+02 -0.537159D+00 -0.125340D+01  0.544816D+01
               211           212           213           214           215 
      1  -0.341009D+01  0.103979D+02  0.860990D+01  0.218045D-03  0.145690D+02
      2  -0.347278D+01  0.246561D+01  0.336602D+01 -0.944088D+01  0.149856D+02
      3   0.194437D+01  0.393075D+00 -0.410315D+01  0.211168D+01 -0.289145D+01
               216           217           218           219           220 
      1   0.804518D+01  0.191687D+01  0.886926D+01 -0.202695D+01  0.372741D+01
      2   0.967326D+01 -0.364241D+02 -0.351190D+01 -0.911509D+01  0.717679D+00
      3   0.143242D+01  0.665117D+01 -0.386056D+01  0.429712D+01  0.651980D+00
               221           222           223           224           225 
      1  -0.262432D+01  0.272267D+00 -0.692178D+00  0.284207D+00  0.410276D+01
      2  -0.215925D+01 -0.158272D+00 -0.345471D+01 -0.161031D+01 -0.706316D+01
      3   0.193164D+01 -0.896221D+00  0.582565D+00 -0.149420D+01 -0.459250D+00
               226           227           228           229           230 
      1  -0.681933D+01 -0.443524D+01 -0.257673D+01 -0.113394D+02 -0.247346D+02
      2  -0.235672D+02  0.602875D+02  0.840727D+01  0.126459D+02 -0.402991D+02
      3   0.108399D+02 -0.105328D+02 -0.914219D+01 -0.171507D+01  0.164077D+02
               231           232           233           234           235 
      1  -0.249922D+02  0.180737D+01  0.515967D+01  0.611860D+01  0.446690D+01
      2  -0.484053D+00 -0.699475D+01  0.252064D+02  0.564059D+01  0.228741D+02
      3  -0.328712D+02 -0.277138D+00 -0.119586D+02  0.341080D+02 -0.121585D+02
               236           237           238           239           240 
      1  -0.604692D+01  0.516595D+01 -0.306803D+01  0.473247D+01  0.260530D+01
      2  -0.880976D+01 -0.943663D+00 -0.254930D+01  0.838951D+00  0.492676D+00
      3  -0.848348D+00  0.980899D+00  0.221850D+01 -0.101316D+01 -0.964554D-01
               241           242           243           244           245 
      1   0.166294D+01  0.847816D+00  0.340436D+01  0.601902D+01  0.103785D+02
      2  -0.551666D+00 -0.652149D+01  0.431352D+01 -0.165458D+01 -0.663363D+01
      3  -0.282007D+00  0.182886D+01  0.233549D+01  0.123153D+01  0.417408D+01
               246           247           248           249           250 
      1  -0.237506D+01  0.663869D+01  0.303765D+02  0.539984D+00 -0.107622D+01
      2  -0.821141D+00 -0.511051D+01  0.169403D+01  0.755868D+00 -0.469497D+00
      3   0.298842D+01  0.507757D+01  0.414174D+01  0.178852D+01  0.225419D+00
               251           252           253           254           255 
      1  -0.105082D+01  0.611506D+01  0.243749D+02 -0.481818D+02  0.414520D+02
      2  -0.187513D+01 -0.200754D+01  0.189559D+02  0.355579D+02  0.454098D+01
      3   0.253198D+01 -0.325153D+01 -0.136145D+02  0.806678D+02 -0.111681D+03
               256           257           258           259           260 
      1  -0.543824D+01  0.115087D+03 -0.275908D+02  0.139015D+02 -0.414342D+02
      2  -0.360640D+02  0.374210D+03  0.120864D+01  0.103194D+02 -0.138530D+03
      3   0.715588D+01 -0.184505D+02  0.639366D+02 -0.343089D+01  0.159196D+02
               261           262           263           264           265 
      1   0.768373D+02 -0.162433D+02  0.123063D+02 -0.415054D+02  0.334601D+01
      2  -0.132292D+02 -0.141195D+02 -0.220407D+01  0.665690D+01  0.180763D+01
      3   0.120489D+02  0.398016D+01 -0.134697D+02  0.952431D+01  0.714692D-01
               266           267           268           269           270 
      1  -0.138869D+02 -0.165829D+01 -0.318251D+01  0.877826D+01 -0.159779D+02
      2  -0.168705D+02  0.399674D+01 -0.352840D+01  0.444009D+02  0.355994D+01
      3   0.107144D+01  0.127332D+02 -0.147040D+01  0.200742D+02 -0.883118D+01
               271           272           273           274           275 
      1  -0.906854D+01 -0.702723D+01  0.798796D+01 -0.339904D+02  0.203989D+03
      2  -0.649813D+01  0.180524D+03  0.308261D+01  0.400464D+01 -0.121778D+03
      3   0.103542D+01  0.306945D+02 -0.304481D+02 -0.344432D+02  0.238275D+03
               276           277           278           279           280 
      1  -0.407737D+03  0.358291D+01  0.124786D+02  0.365021D+02  0.733854D+01
      2   0.149723D+03 -0.262567D+02  0.378298D+03 -0.146198D+03 -0.812617D+01
      3  -0.429244D+02  0.464336D+02 -0.250983D+03  0.231073D+02 -0.540109D+01
               281           282           283           284           285 
      1  -0.100270D+02  0.136846D+02  0.191360D+01  0.620716D+01 -0.973741D+01
      2   0.205990D+03 -0.647379D+02 -0.178146D+02  0.125215D+03  0.707479D+01
      3   0.409103D+02 -0.125971D+03  0.389958D+01  0.588875D+01  0.437456D+02
               286           287           288           289           290 
      1   0.229251D+00 -0.147563D+02  0.317080D+01 -0.147375D+02  0.190742D+02
      2   0.379569D+01 -0.321153D+02  0.422122D+01  0.154680D+02 -0.278137D+03
      3   0.526554D+01 -0.148760D+01  0.108553D+02  0.316555D+01 -0.499775D+02
               291           292           293           294           295 
      1  -0.300802D+02 -0.547203D+00 -0.610922D+02 -0.725185D+02 -0.137107D+02
      2   0.118616D+03  0.361234D+01 -0.301621D+02 -0.359543D+02  0.364327D+02
      3   0.113730D+03  0.151121D+02 -0.107961D+03  0.279926D+01 -0.227411D+02
               296           297           298           299           300 
      1  -0.249249D+01 -0.176389D+03 -0.176531D+01 -0.315643D+01  0.112132D+02
      2  -0.377769D+03  0.945582D+02  0.423684D+01  0.165340D+02  0.113180D+02
      3   0.155646D+03 -0.230248D+02 -0.339269D+01  0.253138D+02 -0.336056D+02
               301           302           303           304           305 
      1  -0.793305D+01  0.585785D+02 -0.925495D+02  0.154445D+02 -0.100826D+03
      2   0.148641D+02 -0.396975D+02  0.483875D+02 -0.100099D+02  0.155967D+03
      3   0.571486D+01  0.821240D+02  0.740364D+01  0.404981D+02 -0.187149D+03
               306           307           308           309           310 
      1   0.118467D+03 -0.175429D+01 -0.300180D+01 -0.428343D+00  0.205495D+01
      2  -0.966523D+02  0.234920D+00 -0.179686D+02  0.281534D+01 -0.328228D+01
      3  -0.487873D+01  0.220988D+01 -0.242477D+02  0.267056D+02  0.634318D+01
               311           312           313           314           315 
      1  -0.244883D+02  0.484326D+01  0.782242D+00 -0.118361D+02  0.874420D+00
      2   0.206693D+02 -0.579596D+00 -0.148163D+01 -0.408416D+01 -0.136114D+01
      3  -0.151725D+01  0.617276D+01  0.156096D+01 -0.175369D+01 -0.253059D+01
               316           317           318           319           320 
      1   0.160255D+02 -0.703565D+00  0.543140D+00 -0.188648D+02  0.109262D+03
      2  -0.300561D+01 -0.453995D+02 -0.619809D+01  0.226703D+02 -0.109443D+03
      3   0.232399D+01  0.191039D+02  0.170144D+02 -0.278738D+02  0.189374D+03
               321           322           323           324           325 
      1  -0.205540D+03 -0.109998D+02  0.408779D+02 -0.808619D+02 -0.323083D+01
      2   0.104376D+03  0.140833D+02 -0.240461D+03  0.541978D+02 -0.126247D+01
      3   0.119323D+02 -0.281415D+02  0.933443D+02 -0.138558D+02 -0.689686D+00
               326           327           328           329           330 
      1  -0.740477D+00  0.256163D+01 -0.266401D+00  0.579578D+01 -0.414308D+01
      2   0.345369D+02 -0.386147D+00 -0.813789D+00  0.287618D+02  0.278998D+00
      3  -0.289037D+02 -0.222595D+01  0.237044D+01  0.689226D+00  0.110905D+02
               331           332           333           334           335 
      1   0.226963D+01 -0.128970D+02  0.276960D+02  0.431700D+02  0.519848D+01
      2  -0.269064D+01 -0.115431D+02  0.374456D+01  0.222264D+02 -0.257805D+03
      3  -0.734974D+01  0.450651D+01 -0.287144D+01 -0.183328D+01  0.139802D+03
               336           337           338           339           340 
      1  -0.187739D+02  0.213208D+02 -0.199754D+02  0.207328D+03 -0.117384D+02
      2   0.545856D+02 -0.738434D+02  0.407221D+03 -0.932428D+02  0.129512D+02
      3   0.472089D+02  0.184762D+02 -0.135519D+03  0.841579D+02 -0.252882D+02
               341           342           343           344           345 
      1   0.748330D+02 -0.736032D+02 -0.393551D+01  0.146802D+01  0.292526D+01
      2  -0.922612D+02  0.121963D+03 -0.128697D+01  0.332284D+02 -0.549244D+01
      3   0.201834D+03  0.306398D+02 -0.225344D+01 -0.477688D+00 -0.353573D+02
               346           347           348           349           350 
      1   0.867446D+00  0.220769D+02  0.228541D+02  0.259629D+01  0.762033D+01
      2  -0.128475D+01 -0.299123D+01  0.121215D+01 -0.316141D+01 -0.198558D+02
      3   0.801567D+00 -0.410890D+01 -0.630113D+01 -0.126513D+01 -0.338892D+00
               351 
      1   0.325866D+02
      2   0.404407D+01
      3  -0.303636D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.496996D+02 -0.292889D+01  0.000000D+00  0.240435D+01  0.435505D+01
      2  -0.351433D+02  0.206714D+01 -0.439303D-05 -0.173295D+01  0.154715D+01
      3  -0.145563D+02  0.861752D+00  0.344817D-05 -0.671400D+00 -0.590220D+01
      4   0.312758D+01  0.837890D+01  0.000000D+00 -0.102439D+02  0.139943D+01
      5  -0.188611D-05 -0.320581D-05 -0.471650D+01  0.000000D+00 -0.156342D-05
      6   0.000000D+00 -0.334459D-05  0.379337D+01  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1  -0.267784D-05  0.354329D-05  0.000000D+00  0.309420D+02  0.112762D+01
      2   0.000000D+00  0.000000D+00  0.000000D+00 -0.155938D+01 -0.591799D+01
      3   0.235991D-05 -0.317809D-05  0.000000D+00 -0.293826D+02  0.479037D+01
      4   0.000000D+00  0.000000D+00  0.111743D-05  0.110846D+02  0.290535D-01
      5  -0.980267D+00  0.594611D+01 -0.250530D+02 -0.177160D-05  0.127763D+01
      6  -0.212636D+02  0.749947D+01  0.858844D+01 -0.164549D-05 -0.724930D+01
                11            12            13            14            15 
      1  -0.547814D+01  0.563386D+01 -0.515745D+01  0.791054D+01  0.140319D+02
      2   0.111999D+02 -0.156790D+01  0.216590D+01  0.192287D+00 -0.783154D+00
      3  -0.572173D+01 -0.406595D+01  0.299155D+01 -0.810283D+01 -0.132488D+02
      4  -0.649086D+01 -0.299206D+01  0.162143D+02  0.606026D-01  0.811920D+01
      5  -0.125142D+02 -0.164319D+01  0.926852D+01 -0.143996D+02  0.216822D+01
      6   0.351248D+02 -0.467154D+01  0.348780D+01 -0.823245D+00 -0.522846D+02
                16            17            18            19            20 
      1   0.469261D+00  0.448556D+02 -0.165474D+02  0.204716D+01  0.174796D+01
      2   0.542519D+01 -0.968084D+02 -0.372494D+02 -0.467606D+01  0.447438D+01
      3  -0.589445D+01  0.519527D+02  0.537968D+02  0.262890D+01 -0.622234D+01
      4   0.232079D+01  0.493573D+01 -0.727897D+00  0.294760D+01 -0.589862D+01
      5  -0.628090D+01  0.176674D+01 -0.258482D+01  0.128626D+01  0.134645D+02
      6  -0.101262D+01 -0.121108D+03  0.830765D+02 -0.113952D+02 -0.253592D+02
                21            22            23            24            25 
      1  -0.320731D+01 -0.110671D+02  0.729541D+02  0.100706D+03 -0.701061D+01
      2   0.733424D+01  0.124584D+02 -0.690967D+02 -0.984939D+02  0.100365D+02
      3  -0.412693D+01 -0.139134D+01 -0.385748D+01 -0.221168D+01 -0.302593D+01
      4   0.121426D+00  0.119585D+02  0.190860D+02  0.241935D+02  0.483094D+01
      5   0.136778D+02  0.224447D+02 -0.746322D+01  0.117584D+02  0.159674D+02
      6  -0.202439D+02  0.382128D+02 -0.249916D+03 -0.373907D+03  0.143169D+02
                26            27            28            29            30 
      1  -0.135021D+01  0.272961D+02  0.204716D+01  0.174796D+01  0.320731D+01
      2  -0.179218D+02 -0.656083D+02 -0.467607D+01  0.447438D+01 -0.733424D+01
      3   0.192721D+02  0.383122D+02  0.262890D+01 -0.622235D+01  0.412693D+01
      4   0.141572D+01 -0.540871D+00  0.294761D+01 -0.589862D+01 -0.121427D+00
      5   0.166474D+02 -0.767712D+01 -0.128626D+01 -0.134645D+02  0.136778D+02
      6  -0.527392D+02 -0.954481D+02  0.113952D+02  0.253592D+02 -0.202439D+02
                31            32            33            34            35 
      1  -0.110671D+02  0.729541D+02 -0.100706D+03  0.701061D+01  0.135021D+01
      2   0.124584D+02 -0.690967D+02  0.984939D+02 -0.100365D+02  0.179218D+02
      3  -0.139134D+01 -0.385748D+01  0.221168D+01  0.302594D+01 -0.192721D+02
      4   0.119585D+02  0.190860D+02 -0.241935D+02 -0.483094D+01 -0.141573D+01
      5  -0.224447D+02  0.746322D+01  0.117584D+02  0.159674D+02  0.166474D+02
      6  -0.382128D+02  0.249916D+03 -0.373907D+03  0.143169D+02 -0.527392D+02
                36            37            38            39            40 
      1   0.272961D+02  0.112762D+01 -0.547814D+01 -0.563386D+01 -0.515745D+01
      2  -0.656083D+02 -0.591799D+01  0.111999D+02  0.156790D+01  0.216591D+01
      3   0.383122D+02  0.479037D+01 -0.572173D+01  0.406595D+01  0.299155D+01
      4  -0.540872D+00  0.290532D-01 -0.649086D+01  0.299206D+01  0.162143D+02
      5   0.767712D+01 -0.127762D+01  0.125142D+02 -0.164319D+01 -0.926852D+01
      6   0.954481D+02  0.724931D+01 -0.351248D+02 -0.467154D+01 -0.348780D+01
                41            42            43            44            45 
      1   0.791054D+01 -0.140319D+02 -0.469261D+00 -0.448556D+02 -0.165474D+02
      2   0.192286D+00  0.783154D+00 -0.542519D+01  0.968084D+02 -0.372494D+02
      3  -0.810283D+01  0.132488D+02  0.589445D+01 -0.519527D+02  0.537968D+02
      4   0.606019D-01 -0.811920D+01 -0.232079D+01 -0.493573D+01 -0.727897D+00
      5   0.143996D+02  0.216822D+01 -0.628090D+01  0.176674D+01  0.258482D+01
      6   0.823244D+00 -0.522846D+02 -0.101262D+01 -0.121108D+03 -0.830765D+02
                46            47            48            49            50 
      1   0.591282D+01  0.557407D+01 -0.887387D+01  0.448824D+01 -0.333803D+02
      2  -0.260209D+02 -0.146460D+02 -0.538190D+01 -0.143411D+02  0.119343D+03
      3   0.201081D+02  0.907192D+01  0.142558D+02  0.985287D+01 -0.859630D+02
      4  -0.157145D+01  0.805202D+01  0.316729D+02 -0.167183D+02 -0.530759D+01
      5  -0.616661D+01  0.181295D+02  0.624275D+02 -0.285738D+02 -0.772460D+01
      6   0.307478D+02 -0.175977D+02  0.125457D+02  0.410601D+01  0.735252D+02
                51            52            53            54            55 
      1   0.135091D+02  0.245677D+00 -0.425875D+02  0.312680D+01  0.109412D+01
      2   0.114786D+03 -0.489233D+01  0.739365D+02  0.495407D+01 -0.557566D+00
      3  -0.128295D+03  0.464665D+01 -0.313491D+02 -0.808087D+01 -0.536553D+00
      4   0.447654D+01  0.186714D+01 -0.296645D+01  0.455626D+01  0.541979D+00
      5   0.923353D+01  0.142664D+02 -0.861827D+01  0.358416D+01  0.886881D+00
      6  -0.156548D+03  0.400188D+00  0.103047D+03 -0.403945D+02 -0.586232D+01
                56            57            58            59            60 
      1  -0.664265D-01  0.219929D+01 -0.196439D+00 -0.211800D+01  0.456104D+01
      2   0.256159D-01  0.173967D+01 -0.130522D+01 -0.991929D+01  0.194760D+02
      3   0.408106D-01 -0.393896D+01  0.150166D+01  0.120373D+02 -0.240370D+02
      4  -0.704958D+00 -0.421470D+01  0.153076D+01  0.561893D+00 -0.102046D+01
      5  -0.353464D+01 -0.660922D+01 -0.184145D+01 -0.804596D+00  0.165332D+01
      6   0.544213D+00 -0.482591D+00 -0.757683D+00 -0.167286D+01  0.395247D+01
                61            62            63            64            65 
      1   0.434749D+00  0.811955D+00 -0.177907D+02 -0.371836D+01 -0.499658D+01
      2   0.274066D+01  0.977047D+01 -0.417626D+02 -0.664351D+01 -0.120466D+01
      3  -0.317541D+01 -0.105824D+02  0.595533D+02  0.103619D+02  0.620124D+01
      4   0.286440D+00 -0.537164D+00  0.192523D+00 -0.911308D+01  0.372768D+02
      5   0.643949D+01  0.103633D+00 -0.487788D+01 -0.101361D+02  0.324226D+02
      6  -0.112082D+01  0.862166D+01  0.654193D+01  0.533784D+02  0.246709D+01
                66            67            68            69            70 
      1  -0.833519D+01 -0.640451D+00  0.177236D+02 -0.312213D+02 -0.660194D+01
      2   0.464309D+01  0.885112D+01 -0.100860D+03 -0.683166D+02 -0.448781D+01
      3   0.369210D+01 -0.821067D+01  0.831361D+02  0.995379D+02  0.110897D+02
      4   0.416115D+02  0.685018D+01  0.314051D+01 -0.409795D+01  0.404998D+02
      5   0.529076D+02  0.120151D+02  0.399499D+01 -0.591583D+01  0.351956D+02
      6   0.193244D+01 -0.744929D+01 -0.181861D+02  0.192183D+03  0.642038D+01
                71            72            73            74            75 
      1  -0.324085D+02  0.725756D+01  0.902477D+00  0.399370D+01  0.600554D+01
      2   0.123791D+03  0.362804D+02  0.591845D+00  0.237595D+00 -0.545875D+00
      3  -0.913822D+02 -0.435380D+02 -0.149432D+01 -0.423129D+01 -0.545966D+01
      4  -0.255417D+01  0.629655D+01  0.308699D+00 -0.187446D+01 -0.497920D+01
      5  -0.101877D+01  0.748753D+01  0.253870D+00 -0.346431D+01 -0.533349D+01
      6   0.769679D+02 -0.539738D+02 -0.545723D+01 -0.697261D+01 -0.983840D+01
                76            77            78            79            80 
      1   0.253383D+01 -0.321902D+02 -0.310684D+02  0.402250D+01 -0.392446D+02
      2  -0.134066D+01  0.204042D+02  0.152063D+02  0.905650D+00  0.421811D+01
      3  -0.119317D+01  0.117861D+02  0.158620D+02 -0.492815D+01  0.350264D+02
      4   0.526701D+01 -0.503322D+01 -0.472028D+01  0.535403D+01 -0.532055D+01
      5   0.366168D+01 -0.525200D+01 -0.508655D+01  0.825361D+01 -0.711145D+01
      6  -0.601007D+01  0.601036D+02  0.581296D+02 -0.940296D+01  0.759665D+02
                81            82            83            84            85 
      1  -0.574356D+02 -0.316464D+01 -0.730187D+01  0.297474D+01  0.149360D+01
      2  -0.108345D+02  0.381435D+02  0.877207D+01  0.124570D+01 -0.959872D+00
      3   0.682701D+02 -0.349789D+02 -0.147020D+01 -0.422044D+01 -0.533731D+00
      4  -0.735303D+01 -0.711038D+01  0.785037D+02  0.248482D+02  0.356547D+02
      5  -0.112951D+02 -0.265905D+00  0.300253D+02  0.818240D+01  0.107737D+02
      6   0.108043D+03  0.334861D+02  0.399995D+00 -0.134600D+02 -0.104433D+02
                86            87            88            89            90 
      1  -0.314557D+02 -0.500002D+02  0.913183D+01 -0.140133D+01 -0.433682D+02
      2   0.520114D+02  0.440205D+02  0.145473D+01 -0.616810D+02  0.147403D+02
      3  -0.205557D+02  0.597976D+01 -0.105866D+02  0.630823D+02  0.286279D+02
      4  -0.309204D+01 -0.655545D+01 -0.266531D+02  0.133643D+01 -0.908579D+01
      5  -0.268366D+01 -0.601173D+01 -0.324279D+02  0.244446D+00 -0.864815D+01
      6   0.120365D+03  0.148547D+03 -0.139376D+02  0.345052D+02  0.174972D+03
                91            92            93            94            95 
      1   0.786684D+00  0.334323D+01  0.681108D+00  0.172108D+01 -0.576603D+02
      2  -0.348948D+01 -0.594384D+01 -0.138354D+01 -0.624780D+01  0.148832D+03
      3   0.270280D+01  0.260061D+01  0.702430D+00  0.452672D+01 -0.911717D+02
      4   0.474765D+00 -0.818574D+01 -0.393304D+01  0.954307D+01 -0.910303D+01
      5   0.130474D+00 -0.278426D+01 -0.290258D+00  0.147190D+01 -0.885237D+00
      6  -0.408213D+01 -0.493441D+01 -0.112982D+01 -0.116117D+01  0.345190D+02
                96            97            98            99           100 
      1  -0.163972D+01 -0.705229D-01  0.808373D+01 -0.515053D+01  0.150196D+02
      2   0.574631D+01  0.710006D+00 -0.334912D+02  0.703014D+01  0.472434D+01
      3  -0.410659D+01 -0.639483D+00  0.254074D+02 -0.187961D+01 -0.197440D+02
      4  -0.181516D-01 -0.190908D+01  0.235413D+00 -0.105778D+01  0.187214D+01
      5  -0.771754D-01  0.138045D+01 -0.122626D+01 -0.383511D+00 -0.100807D+01
      6   0.140962D+01 -0.110949D+01  0.108993D+02  0.616827D+01 -0.130741D+02
               101           102           103           104           105 
      1  -0.463865D+01 -0.101561D+02 -0.180095D+01  0.337666D+02  0.323797D+02
      2   0.532926D+01  0.974012D+01  0.611434D+01 -0.617065D+02 -0.709403D+02
      3  -0.690604D+00  0.415955D+00 -0.431339D+01  0.279399D+02  0.385607D+02
      4   0.122456D+02 -0.132471D+02 -0.160311D+02  0.945058D+01  0.423266D+01
      5   0.528619D+01  0.420973D+01  0.105902D+01  0.448690D+01  0.380485D+01
      6  -0.177721D+00  0.240492D+02  0.973474D+01 -0.119276D+03 -0.912415D+02
               106           107           108           109           110 
      1  -0.676536D+01  0.332240D+02  0.342987D+02  0.142201D+02  0.254746D+00
      2   0.722127D+01 -0.448878D+02 -0.545524D+02  0.482044D+01 -0.150117D+01
      3  -0.455903D+00  0.116638D+02  0.202538D+02 -0.190405D+02  0.124643D+01
      4   0.125910D+02  0.871109D+01  0.640353D+01  0.382215D+01  0.111000D+02
      5   0.257454D+02  0.241449D+01  0.693630D+01  0.253575D+01 -0.933119D+01
      6   0.137679D+02 -0.121452D+03 -0.179990D+03 -0.184479D+02  0.698518D+01
               111           112           113           114           115 
      1  -0.337139D+01  0.883138D+01 -0.591298D+02 -0.967885D+02  0.237835D+01
      2   0.745656D+00 -0.962039D+01  0.566875D+02  0.108346D+03 -0.262439D+01
      3   0.262573D+01  0.789008D+00  0.244233D+01 -0.115571D+02  0.246046D+00
      4  -0.235101D+02 -0.938566D+01 -0.174656D+02 -0.159404D+02 -0.309638D+02
      5  -0.270515D+01 -0.158003D+02 -0.104825D+02 -0.153514D+02 -0.234417D+02
      6   0.929933D+01 -0.321366D+02  0.275165D+03  0.347919D+03 -0.353984D+01
               116           117           118           119           120 
      1  -0.198226D+02  0.226663D+01 -0.828048D+00  0.402985D+00  0.473012D+01
      2   0.150852D+02  0.317075D+02  0.205511D+01  0.263755D+01 -0.300912D+01
      3   0.473743D+01 -0.339741D+02 -0.122706D+01 -0.304054D+01 -0.172099D+01
      4  -0.261023D+01  0.668278D-01  0.104036D+01  0.604308D+01 -0.218027D+01
      5  -0.268891D+00 -0.101612D+01 -0.200033D+00 -0.432359D+01  0.176414D+01
      6   0.423916D+02  0.690824D+02 -0.190011D+01  0.722677D+01 -0.556765D+01
               121           122           123           124           125 
      1  -0.318140D+00 -0.124492D+02  0.114021D+02  0.497905D+00  0.496055D+01
      2   0.137323D+01  0.403462D+02 -0.284232D+02 -0.938139D+00 -0.152708D+02
      3  -0.105509D+01 -0.278969D+02  0.170211D+02  0.440234D+00  0.103102D+02
      4   0.717800D+01  0.301194D+01 -0.575508D+00 -0.289020D+01 -0.255756D+01
      5  -0.303596D+01 -0.120385D+01 -0.136539D+00  0.237620D+01 -0.645654D+00
      6  -0.485668D+00 -0.356994D+02  0.285316D+02 -0.904343D+00  0.360883D+02
               126           127           128           129           130 
      1  -0.145410D+02 -0.194332D+02  0.147656D+02  0.442165D+02  0.640577D+01
      2   0.152014D+02  0.181973D+02 -0.254686D+02 -0.437833D+02 -0.511016D+01
      3  -0.660394D+00  0.123589D+01  0.107030D+02 -0.433128D+00 -0.129561D+01
      4   0.999777D+00 -0.113710D+02  0.682247D+01  0.688574D+01  0.165167D+01
      5  -0.932694D+00  0.341219D+02 -0.178548D+02 -0.165478D+02 -0.123798D+02
      6  -0.929194D+01  0.131440D+02 -0.189585D+02 -0.363073D+02 -0.118630D+02
               131           132           133           134           135 
      1   0.204917D+01 -0.239521D+02  0.105281D+02 -0.157338D+02 -0.187153D+02
      2   0.672437D+01  0.132971D+02 -0.896514D+01  0.927882D+01  0.527330D+02
      3  -0.877353D+01  0.106550D+02 -0.156295D+01  0.645499D+01 -0.340176D+02
      4   0.585985D-01 -0.646432D+01 -0.204778D+01 -0.436293D+01 -0.605247D+01
      5  -0.463594D+01  0.671226D+01 -0.140373D+02  0.601198D+01  0.349373D+01
      6   0.164970D+02  0.250751D+02 -0.170904D+02  0.328658D+02  0.108312D+03
               136           137           138           139           140 
      1   0.400030D+02 -0.123762D+02 -0.244645D+02 -0.353569D+01  0.434019D+01
      2  -0.270207D+02  0.159790D+02  0.375250D+02  0.306162D+01 -0.305591D+01
      3  -0.129824D+02 -0.360275D+01 -0.130605D+02  0.474076D+00 -0.128428D+01
      4   0.950498D+01  0.166158D-01 -0.793504D+01  0.574074D+01 -0.151897D+00
      5  -0.319852D+02  0.932055D+01  0.253913D+02  0.406745D+01 -0.359813D+01
      6  -0.148352D+02 -0.181558D+00  0.420246D+02 -0.219140D+01 -0.240508D+01
               141           142           143           144           145 
      1   0.362674D+01  0.768148D+00 -0.138299D+01  0.390124D+01 -0.772668D+01
      2  -0.150450D+01  0.491031D+01  0.139517D+01 -0.126275D+02 -0.573849D+01
      3  -0.212224D+01 -0.567845D+01 -0.121774D-01  0.872628D+01  0.134652D+02
      4  -0.217315D+01  0.695954D+00  0.915006D+00  0.244447D+01  0.189197D+02
      5  -0.229928D+01  0.904170D+01 -0.112272D+01 -0.676678D+01 -0.422192D+02
      6   0.957499D+01  0.374390D+01 -0.562443D+01 -0.232684D+02  0.144922D+02
               146           147           148           149           150 
      1   0.417842D+01 -0.143438D+02  0.476425D+01  0.494978D+01  0.105216D+02
      2  -0.737152D+01 -0.327253D+01 -0.101597D+02 -0.184190D+02  0.340819D+02
      3   0.319310D+01  0.176163D+02  0.539548D+01  0.134692D+02 -0.446035D+02
      4  -0.879217D+01  0.317616D+01 -0.492594D+01 -0.125638D+02  0.848425D+00
      5   0.129982D+02 -0.125521D+01  0.104316D+02  0.145363D+02 -0.122022D+01
      6   0.140496D+02  0.805811D+00  0.101601D+02  0.410641D+02  0.484793D+01
               151           152           153           154           155 
      1  -0.287535D+01  0.942420D+01 -0.201550D+01  0.131723D+01 -0.291123D+01
      2  -0.447883D+01  0.151533D+02 -0.429403D+01  0.502192D+01  0.106055D+02
      3   0.735418D+01 -0.245775D+02  0.630954D+01 -0.633916D+01 -0.769427D+01
      4  -0.201376D+00  0.886215D+00 -0.542224D+01  0.540851D+01  0.114610D+02
      5   0.267259D+01 -0.206844D+01  0.124850D+02 -0.377191D+01 -0.115341D+02
      6  -0.291121D+01  0.207063D+01 -0.445818D+02 -0.120389D+02 -0.185167D+02
               156           157           158           159           160 
      1   0.584951D+01 -0.308036D+01 -0.160933D+02  0.937144D+01  0.226751D+01
      2   0.388970D+01  0.806298D+01  0.375822D+02 -0.446862D+01  0.221996D+01
      3  -0.973921D+01 -0.498262D+01 -0.214889D+02 -0.490281D+01 -0.448748D+01
      4  -0.410928D+01  0.918465D+01  0.117995D+02 -0.307153D+01 -0.836855D+00
      5   0.541140D+01 -0.890231D+01 -0.115142D+02  0.359565D+01  0.210744D+01
      6   0.860099D+01 -0.109837D+02 -0.544953D+02  0.203088D+02  0.309479D+01
               161           162           163           164           165 
      1   0.442134D+01 -0.537978D+01  0.208510D+02 -0.305438D+01 -0.356287D+01
      2   0.339450D+00  0.210104D+01 -0.537606D+01 -0.289452D+01 -0.107635D+02
      3  -0.476079D+01  0.327874D+01 -0.154750D+02  0.594890D+01  0.143264D+02
      4  -0.880341D+00  0.381118D+01 -0.243470D+02  0.107838D+02 -0.585621D+01
      5   0.176079D+01 -0.582370D+01  0.436771D+02 -0.123170D+02  0.138811D+02
      6   0.120565D+02 -0.624993D+01 -0.166356D+02  0.118401D+02 -0.124019D+02
               166           167           168           169           170 
      1  -0.141964D+01  0.134099D+01 -0.375596D+00 -0.339709D+01 -0.856201D+00
      2  -0.167852D+01  0.427401D+01 -0.537713D+01 -0.335174D+01  0.500532D+00
      3   0.309816D+01 -0.561500D+01  0.575273D+01  0.674883D+01  0.355669D+00
      4   0.707003D+01 -0.411303D+01  0.234217D+01  0.245208D+00 -0.105869D+00
      5  -0.538904D+01  0.620101D+01 -0.309345D+01  0.520924D+01 -0.100246D+01
      6   0.659813D+01 -0.848480D+01  0.252008D+01 -0.299049D+01  0.116476D+01
               171           172           173           174           175 
      1   0.136862D+01 -0.820676D+01 -0.628606D+01  0.245577D+02 -0.313621D+01
      2  -0.157459D+01  0.164606D+02 -0.134419D+01  0.172191D+02 -0.263298D+00
      3   0.205972D+00 -0.825387D+01  0.763025D+01 -0.417767D+02  0.339950D+01
      4  -0.333021D+01 -0.888387D+01  0.701111D+00  0.379173D+01 -0.179078D+00
      5   0.660690D+01  0.653763D+02  0.475922D+01 -0.174678D+02 -0.368081D+01
      6   0.438150D+01  0.555597D+01 -0.185424D+02  0.153945D+02 -0.164584D+02
               176           177           178           179           180 
      1   0.550669D+01 -0.324291D+02  0.106514D+02 -0.242746D+02  0.232327D+02
      2   0.438917D+01 -0.386616D+02  0.105328D+02 -0.296016D+02  0.919807D+01
      3  -0.989586D+01  0.710907D+02 -0.211841D+02  0.538762D+02 -0.324308D+02
      4   0.363069D+01 -0.323015D+01  0.641552D+00 -0.111864D+01  0.506647D+01
      5  -0.172277D+02  0.569182D+01 -0.610695D+01  0.390673D+01 -0.252283D+02
      6  -0.154531D+02 -0.214898D+02  0.737744D+01 -0.147468D+02  0.599033D+02
               181           182           183           184           185 
      1   0.191503D+02  0.167585D+01  0.208500D+01 -0.173569D+00  0.830151D+00
      2  -0.266829D+02  0.466206D+00  0.211646D+02  0.157231D+01 -0.217775D+01
      3   0.753266D+01 -0.214206D+01 -0.232496D+02 -0.139874D+01  0.134760D+01
      4   0.121486D+02  0.530451D+01 -0.556348D+01  0.591318D+01  0.153540D+01
      5  -0.744314D+02 -0.843077D+01  0.353716D+02  0.232511D+01 -0.670080D+01
      6  -0.948648D+01 -0.122008D+02  0.527242D+01 -0.703326D+01  0.108078D+01
               186           187           188           189           190 
      1   0.379837D+01  0.320899D+01  0.378039D+01 -0.308003D+01 -0.474311D+01
      2   0.210208D+01  0.756158D+01  0.387469D+01 -0.883779D+01 -0.100503D+02
      3  -0.590045D+01 -0.107706D+02 -0.765508D+01  0.119178D+02  0.147934D+02
      4  -0.173186D+01 -0.256900D+00 -0.358876D+00  0.111718D+01 -0.177318D+01
      5  -0.171721D+00  0.110383D+02  0.491272D+00 -0.136654D+02  0.421894D+01
      6   0.824294D+01  0.156677D+01  0.453844D+01 -0.831844D+01 -0.991924D+01
               191           192           193           194           195 
      1   0.518722D+01 -0.164991D+02  0.281079D+01 -0.182568D+02  0.294715D+02
      2   0.333899D+01 -0.194117D+02  0.783027D+00 -0.795670D+01  0.230033D+02
      3  -0.852622D+01  0.359109D+02 -0.359381D+01  0.262135D+02 -0.524748D+02
      4   0.322314D+01 -0.538781D+01  0.320116D+01 -0.179286D+01  0.150127D+01
      5  -0.845694D+01  0.230873D+02 -0.655551D+01  0.708446D+01 -0.476405D+01
      6   0.131636D+02 -0.177187D+02  0.744729D+01 -0.312205D+02  0.469617D+02
               196           197           198           199           200 
      1  -0.683487D+01  0.208450D+02 -0.622629D+02 -0.820676D+01 -0.628606D+01
      2  -0.655094D+01  0.175115D+02 -0.638927D+02  0.164606D+02 -0.134419D+01
      3   0.133858D+02 -0.383565D+02  0.126156D+03 -0.825387D+01  0.763025D+01
      4  -0.276653D+01  0.990217D+00 -0.292677D+01 -0.888387D+01  0.701111D+00
      5   0.142238D+02 -0.332573D+01  0.152867D+02 -0.653763D+02 -0.475922D+01
      6  -0.600588D+01  0.339689D+02 -0.645641D+02 -0.555597D+01  0.185424D+02
               201           202           203           204           205 
      1  -0.245577D+02 -0.313621D+01  0.550669D+01  0.324291D+02 -0.106514D+02
      2  -0.172191D+02 -0.263298D+00  0.438917D+01  0.386616D+02 -0.105328D+02
      3   0.417767D+02  0.339950D+01 -0.989586D+01 -0.710907D+02  0.211841D+02
      4  -0.379173D+01 -0.179077D+00  0.363069D+01  0.323015D+01 -0.641552D+00
      5  -0.174678D+02  0.368081D+01  0.172277D+02  0.569182D+01 -0.610695D+01
      6   0.153945D+02  0.164584D+02  0.154531D+02 -0.214898D+02  0.737744D+01
               206           207           208           209           210 
      1   0.242746D+02  0.232327D+02 -0.474311D+01  0.518722D+01  0.164991D+02
      2   0.296016D+02  0.919807D+01 -0.100503D+02  0.333899D+01  0.194117D+02
      3  -0.538762D+02 -0.324308D+02  0.147934D+02 -0.852622D+01 -0.359109D+02
      4   0.111864D+01  0.506647D+01 -0.177318D+01  0.322314D+01  0.538781D+01
      5   0.390673D+01  0.252283D+02 -0.421894D+01  0.845694D+01  0.230873D+02
      6  -0.147468D+02 -0.599033D+02  0.991924D+01 -0.131636D+02 -0.177187D+02
               211           212           213           214           215 
      1   0.281079D+01 -0.182568D+02 -0.294715D+02  0.683487D+01 -0.208450D+02
      2   0.783027D+00 -0.795670D+01 -0.230033D+02  0.655094D+01 -0.175115D+02
      3  -0.359381D+01  0.262135D+02  0.524748D+02 -0.133858D+02  0.383565D+02
      4   0.320116D+01 -0.179286D+01 -0.150127D+01  0.276653D+01 -0.990217D+00
      5   0.655551D+01 -0.708446D+01 -0.476405D+01  0.142238D+02 -0.332573D+01
      6  -0.744729D+01  0.312205D+02  0.469617D+02 -0.600588D+01  0.339689D+02
               216           217           218           219           220 
      1  -0.622629D+02  0.191503D+02  0.167585D+01 -0.208500D+01 -0.173569D+00
      2  -0.638927D+02 -0.266829D+02  0.466205D+00 -0.211646D+02  0.157231D+01
      3   0.126156D+03  0.753266D+01 -0.214206D+01  0.232496D+02 -0.139874D+01
      4  -0.292677D+01  0.121486D+02  0.530451D+01  0.556348D+01  0.591318D+01
      5  -0.152867D+02  0.744314D+02  0.843077D+01  0.353716D+02 -0.232511D+01
      6   0.645641D+02  0.948648D+01  0.122008D+02  0.527243D+01  0.703326D+01
               221           222           223           224           225 
      1   0.830151D+00 -0.379837D+01 -0.320899D+01 -0.378039D+01 -0.308003D+01
      2  -0.217775D+01 -0.210208D+01 -0.756158D+01 -0.387469D+01 -0.883779D+01
      3   0.134760D+01  0.590045D+01  0.107706D+02  0.765508D+01  0.119178D+02
      4   0.153540D+01  0.173186D+01  0.256900D+00  0.358876D+00  0.111718D+01
      5   0.670080D+01 -0.171721D+00  0.110383D+02  0.491272D+00  0.136654D+02
      6  -0.108078D+01  0.824294D+01  0.156677D+01  0.453844D+01  0.831844D+01
               226           227           228           229           230 
      1  -0.772668D+01  0.417842D+01  0.143438D+02  0.476425D+01  0.494978D+01
      2  -0.573849D+01 -0.737152D+01  0.327253D+01 -0.101597D+02 -0.184190D+02
      3   0.134652D+02  0.319309D+01 -0.176163D+02  0.539548D+01  0.134692D+02
      4   0.189197D+02 -0.879217D+01 -0.317616D+01 -0.492594D+01 -0.125638D+02
      5   0.422192D+02 -0.129982D+02 -0.125521D+01 -0.104316D+02 -0.145363D+02
      6  -0.144922D+02 -0.140496D+02  0.805811D+00 -0.101601D+02 -0.410640D+02
               231           232           233           234           235 
      1  -0.105216D+02  0.287535D+01 -0.942420D+01 -0.201550D+01  0.208510D+02
      2  -0.340819D+02  0.447883D+01 -0.151533D+02 -0.429403D+01 -0.537606D+01
      3   0.446035D+02 -0.735418D+01  0.245775D+02  0.630953D+01 -0.154750D+02
      4  -0.848425D+00  0.201376D+00 -0.886215D+00 -0.542224D+01 -0.243470D+02
      5  -0.122022D+01  0.267259D+01 -0.206844D+01 -0.124850D+02 -0.436771D+02
      6   0.484793D+01 -0.291121D+01  0.207063D+01  0.445818D+02  0.166356D+02
               236           237           238           239           240 
      1  -0.305438D+01  0.356287D+01 -0.141964D+01  0.134099D+01  0.375596D+00
      2  -0.289452D+01  0.107635D+02 -0.167852D+01  0.427401D+01  0.537713D+01
      3   0.594890D+01 -0.143264D+02  0.309816D+01 -0.561500D+01 -0.575273D+01
      4   0.107838D+02  0.585621D+01  0.707003D+01 -0.411303D+01 -0.234217D+01
      5   0.123170D+02  0.138811D+02  0.538904D+01 -0.620101D+01 -0.309345D+01
      6  -0.118401D+02 -0.124019D+02 -0.659813D+01  0.848480D+01  0.252008D+01
               241           242           243           244           245 
      1   0.339709D+01  0.856201D+00  0.136862D+01  0.131723D+01 -0.291123D+01
      2   0.335174D+01 -0.500532D+00 -0.157459D+01  0.502192D+01  0.106055D+02
      3  -0.674883D+01 -0.355669D+00  0.205971D+00 -0.633916D+01 -0.769427D+01
      4  -0.245208D+00  0.105869D+00 -0.333021D+01  0.540851D+01  0.114610D+02
      5   0.520924D+01 -0.100246D+01 -0.660690D+01  0.377191D+01  0.115341D+02
      6  -0.299049D+01  0.116476D+01 -0.438150D+01  0.120389D+02  0.185167D+02
               246           247           248           249           250 
      1  -0.584951D+01 -0.308036D+01 -0.160933D+02 -0.937144D+01 -0.226751D+01
      2  -0.388970D+01  0.806298D+01  0.375822D+02  0.446862D+01 -0.221996D+01
      3   0.973921D+01 -0.498262D+01 -0.214889D+02  0.490281D+01  0.448748D+01
      4   0.410928D+01  0.918465D+01  0.117995D+02  0.307153D+01  0.836855D+00
      5   0.541140D+01  0.890231D+01  0.115142D+02  0.359565D+01  0.210744D+01
      6   0.860099D+01  0.109837D+02  0.544953D+02  0.203088D+02  0.309479D+01
               251           252           253           254           255 
      1  -0.442134D+01 -0.537978D+01 -0.194332D+02  0.147656D+02 -0.442165D+02
      2  -0.339450D+00  0.210104D+01  0.181973D+02 -0.254686D+02  0.437833D+02
      3   0.476079D+01  0.327874D+01  0.123589D+01  0.107030D+02  0.433124D+00
      4   0.880341D+00  0.381118D+01 -0.113710D+02  0.682246D+01 -0.688574D+01
      5   0.176079D+01  0.582370D+01 -0.341219D+02  0.178548D+02 -0.165478D+02
      6   0.120565D+02  0.624993D+01 -0.131440D+02  0.189585D+02 -0.363073D+02
               256           257           258           259           260 
      1   0.640577D+01  0.204917D+01  0.239521D+02 -0.105281D+02  0.157338D+02
      2  -0.511016D+01  0.672436D+01 -0.132971D+02  0.896514D+01 -0.927881D+01
      3  -0.129561D+01 -0.877354D+01 -0.106550D+02  0.156295D+01 -0.645500D+01
      4   0.165167D+01  0.585964D-01  0.646431D+01  0.204777D+01  0.436293D+01
      5   0.123798D+02  0.463594D+01  0.671226D+01 -0.140373D+02  0.601197D+01
      6   0.118630D+02 -0.164970D+02  0.250751D+02 -0.170904D+02  0.328658D+02
               261           262           263           264           265 
      1  -0.187153D+02  0.400030D+02 -0.123762D+02  0.244645D+02 -0.353569D+01
      2   0.527330D+02 -0.270207D+02  0.159790D+02 -0.375250D+02  0.306162D+01
      3  -0.340176D+02 -0.129824D+02 -0.360275D+01  0.130605D+02  0.474076D+00
      4  -0.605247D+01  0.950498D+01  0.166149D-01  0.793504D+01  0.574074D+01
      5  -0.349373D+01  0.319852D+02 -0.932055D+01  0.253913D+02 -0.406745D+01
      6  -0.108312D+03  0.148352D+02  0.181559D+00  0.420246D+02  0.219140D+01
               266           267           268           269           270 
      1   0.434019D+01 -0.362674D+01 -0.768148D+00  0.138299D+01  0.390124D+01
      2  -0.305591D+01  0.150450D+01 -0.491031D+01 -0.139517D+01 -0.126275D+02
      3  -0.128428D+01  0.212224D+01  0.567845D+01  0.121773D-01  0.872628D+01
      4  -0.151897D+00  0.217315D+01 -0.695954D+00 -0.915007D+00  0.244447D+01
      5   0.359813D+01 -0.229928D+01  0.904170D+01 -0.112272D+01  0.676678D+01
      6   0.240508D+01  0.957499D+01  0.374390D+01 -0.562443D+01  0.232684D+02
               271           272           273           274           275 
      1   0.142201D+02  0.254742D+00  0.337139D+01  0.883138D+01 -0.591298D+02
      2   0.482044D+01 -0.150117D+01 -0.745661D+00 -0.962039D+01  0.566875D+02
      3  -0.190405D+02  0.124643D+01 -0.262572D+01  0.789009D+00  0.244233D+01
      4   0.382215D+01  0.111000D+02  0.235101D+02 -0.938566D+01 -0.174656D+02
      5  -0.253575D+01  0.933119D+01 -0.270514D+01  0.158003D+02  0.104825D+02
      6   0.184479D+02 -0.698519D+01  0.929933D+01  0.321366D+02 -0.275165D+03
               276           277           278           279           280 
      1   0.967885D+02 -0.237835D+01  0.198226D+02  0.226663D+01 -0.828048D+00
      2  -0.108346D+03  0.262439D+01 -0.150852D+02  0.317075D+02  0.205511D+01
      3   0.115571D+02 -0.246044D+00 -0.473743D+01 -0.339741D+02 -0.122706D+01
      4   0.159404D+02  0.309638D+02  0.261023D+01  0.668271D-01  0.104036D+01
      5  -0.153514D+02 -0.234417D+02 -0.268892D+00  0.101613D+01  0.200033D+00
      6   0.347919D+03 -0.353984D+01  0.423916D+02 -0.690824D+02  0.190011D+01
               281           282           283           284           285 
      1   0.402985D+00 -0.473012D+01 -0.318140D+00 -0.124492D+02 -0.114021D+02
      2   0.263755D+01  0.300912D+01  0.137323D+01  0.403462D+02  0.284232D+02
      3  -0.304054D+01  0.172100D+01 -0.105509D+01 -0.278969D+02 -0.170211D+02
      4   0.604308D+01  0.218027D+01  0.717800D+01  0.301194D+01  0.575507D+00
      5   0.432359D+01  0.176414D+01  0.303596D+01  0.120385D+01 -0.136539D+00
      6  -0.722677D+01 -0.556765D+01  0.485668D+00  0.356994D+02  0.285316D+02
               286           287           288           289           290 
      1  -0.497905D+00 -0.496055D+01 -0.145410D+02  0.150196D+02 -0.463865D+01
      2   0.938139D+00  0.152708D+02  0.152014D+02  0.472434D+01  0.532925D+01
      3  -0.440234D+00 -0.103102D+02 -0.660394D+00 -0.197440D+02 -0.690605D+00
      4   0.289020D+01  0.255756D+01  0.999777D+00  0.187214D+01  0.122456D+02
      5   0.237620D+01 -0.645654D+00  0.932694D+00  0.100807D+01 -0.528618D+01
      6  -0.904343D+00  0.360883D+02  0.929194D+01  0.130741D+02  0.177724D+00
               291           292           293           294           295 
      1   0.101561D+02 -0.180095D+01  0.337666D+02 -0.323797D+02  0.676536D+01
      2  -0.974011D+01  0.611434D+01 -0.617065D+02  0.709403D+02 -0.722126D+01
      3  -0.415962D+00 -0.431339D+01  0.279399D+02 -0.385607D+02  0.455903D+00
      4   0.132471D+02 -0.160311D+02  0.945058D+01 -0.423266D+01 -0.125910D+02
      5   0.420972D+01 -0.105902D+01 -0.448690D+01  0.380485D+01  0.257454D+02
      6   0.240492D+02 -0.973474D+01  0.119276D+03 -0.912415D+02  0.137679D+02
               296           297           298           299           300 
      1  -0.332240D+02  0.342987D+02 -0.316464D+01 -0.730188D+01 -0.297474D+01
      2   0.448878D+02 -0.545524D+02  0.381435D+02  0.877208D+01 -0.124570D+01
      3  -0.116638D+02  0.202538D+02 -0.349789D+02 -0.147020D+01  0.422044D+01
      4  -0.871109D+01  0.640353D+01 -0.711038D+01  0.785037D+02 -0.248482D+02
      5   0.241449D+01 -0.693630D+01  0.265907D+00 -0.300253D+02  0.818240D+01
      6  -0.121452D+03  0.179990D+03 -0.334861D+02 -0.399999D+00 -0.134600D+02
               301           302           303           304           305 
      1   0.149360D+01 -0.314557D+02  0.500002D+02 -0.913183D+01  0.140133D+01
      2  -0.959871D+00  0.520114D+02 -0.440205D+02 -0.145473D+01  0.616810D+02
      3  -0.533732D+00 -0.205557D+02 -0.597976D+01  0.105866D+02 -0.630823D+02
      4   0.356547D+02 -0.309204D+01  0.655544D+01  0.266531D+02 -0.133644D+01
      5  -0.107737D+02  0.268365D+01 -0.601173D+01 -0.324279D+02  0.244447D+00
      6   0.104433D+02 -0.120365D+03  0.148547D+03 -0.139376D+02  0.345052D+02
               306           307           308           309           310 
      1  -0.433682D+02  0.786684D+00  0.334323D+01 -0.681108D+00  0.172108D+01
      2   0.147403D+02 -0.348949D+01 -0.594384D+01  0.138354D+01 -0.624780D+01
      3   0.286279D+02  0.270280D+01  0.260061D+01 -0.702431D+00  0.452672D+01
      4  -0.908579D+01  0.474765D+00 -0.818574D+01  0.393304D+01  0.954307D+01
      5   0.864815D+01 -0.130474D+00  0.278426D+01 -0.290258D+00 -0.147190D+01
      6  -0.174972D+03  0.408213D+01  0.493442D+01 -0.112982D+01  0.116117D+01
               311           312           313           314           315 
      1  -0.576603D+02  0.163972D+01  0.705229D-01 -0.808373D+01 -0.515053D+01
      2   0.148832D+03 -0.574631D+01 -0.710006D+00  0.334912D+02  0.703014D+01
      3  -0.911717D+02  0.410659D+01  0.639483D+00 -0.254074D+02 -0.187961D+01
      4  -0.910303D+01  0.181516D-01  0.190908D+01 -0.235412D+00 -0.105778D+01
      5   0.885237D+00 -0.771754D-01  0.138045D+01 -0.122626D+01  0.383511D+00
      6  -0.345190D+02  0.140962D+01 -0.110949D+01  0.108993D+02 -0.616827D+01
               316           317           318           319           320 
      1  -0.371835D+01 -0.499658D+01  0.833518D+01 -0.640450D+00  0.177236D+02
      2  -0.664352D+01 -0.120466D+01 -0.464309D+01  0.885112D+01 -0.100860D+03
      3   0.103619D+02  0.620124D+01 -0.369209D+01 -0.821067D+01  0.831361D+02
      4  -0.911308D+01  0.372768D+02 -0.416115D+02  0.685018D+01  0.314051D+01
      5   0.101361D+02 -0.324225D+02  0.529076D+02 -0.120151D+02 -0.399499D+01
      6  -0.533784D+02 -0.246709D+01  0.193244D+01  0.744929D+01  0.181861D+02
               321           322           323           324           325 
      1   0.312213D+02  0.660194D+01  0.324085D+02  0.725755D+01  0.902476D+00
      2   0.683166D+02  0.448781D+01 -0.123791D+03  0.362804D+02  0.591845D+00
      3  -0.995379D+02 -0.110897D+02  0.913822D+02 -0.435380D+02 -0.149432D+01
      4   0.409795D+01 -0.404998D+02  0.255417D+01  0.629655D+01  0.308699D+00
      5  -0.591583D+01  0.351956D+02 -0.101877D+01 -0.748753D+01 -0.253870D+00
      6   0.192183D+03  0.642038D+01  0.769679D+02  0.539738D+02  0.545723D+01
               326           327           328           329           330 
      1   0.399370D+01 -0.600554D+01  0.253383D+01 -0.321902D+02  0.310684D+02
      2   0.237595D+00  0.545875D+00 -0.134066D+01  0.204042D+02 -0.152063D+02
      3  -0.423129D+01  0.545966D+01 -0.119317D+01  0.117861D+02 -0.158620D+02
      4  -0.187446D+01  0.497920D+01  0.526701D+01 -0.503322D+01  0.472028D+01
      5   0.346431D+01 -0.533349D+01 -0.366168D+01  0.525200D+01 -0.508655D+01
      6   0.697261D+01 -0.983840D+01  0.601007D+01 -0.601036D+02  0.581296D+02
               331           332           333           334           335 
      1  -0.402250D+01  0.392446D+02 -0.574356D+02  0.591281D+01  0.557407D+01
      2  -0.905650D+00 -0.421811D+01 -0.108345D+02 -0.260209D+02 -0.146460D+02
      3   0.492815D+01 -0.350264D+02  0.682701D+02  0.201081D+02  0.907192D+01
      4  -0.535403D+01  0.532055D+01 -0.735303D+01 -0.157145D+01  0.805203D+01
      5   0.825361D+01 -0.711145D+01  0.112951D+02  0.616662D+01 -0.181295D+02
      6  -0.940296D+01  0.759665D+02 -0.108043D+03 -0.307478D+02  0.175977D+02
               336           337           338           339           340 
      1   0.887387D+01  0.448823D+01 -0.333802D+02 -0.135091D+02 -0.245676D+00
      2   0.538190D+01 -0.143411D+02  0.119343D+03 -0.114786D+03  0.489233D+01
      3  -0.142558D+02  0.985287D+01 -0.859630D+02  0.128295D+03 -0.464665D+01
      4  -0.316730D+02 -0.167183D+02 -0.530759D+01 -0.447654D+01 -0.186714D+01
      5   0.624275D+02  0.285738D+02  0.772460D+01  0.923353D+01  0.142664D+02
      6   0.125457D+02 -0.410601D+01 -0.735252D+02 -0.156548D+03  0.400190D+00
               341           342           343           344           345 
      1   0.425875D+02  0.312680D+01  0.109412D+01 -0.664268D-01 -0.219929D+01
      2  -0.739365D+02  0.495407D+01 -0.557567D+00  0.256156D-01 -0.173967D+01
      3   0.313491D+02 -0.808087D+01 -0.536553D+00  0.408112D-01  0.393896D+01
      4   0.296645D+01  0.455626D+01  0.541979D+00 -0.704958D+00  0.421470D+01
      5  -0.861827D+01 -0.358416D+01 -0.886881D+00  0.353464D+01 -0.660922D+01
      6   0.103047D+03  0.403945D+02  0.586232D+01 -0.544214D+00 -0.482590D+00
               346           347           348           349           350 
      1  -0.196440D+00 -0.211800D+01 -0.456104D+01 -0.434749D+00 -0.811955D+00
      2  -0.130522D+01 -0.991929D+01 -0.194760D+02 -0.274066D+01 -0.977047D+01
      3   0.150166D+01  0.120373D+02  0.240370D+02  0.317541D+01  0.105824D+02
      4   0.153076D+01  0.561893D+00  0.102046D+01 -0.286440D+00  0.537163D+00
      5   0.184145D+01  0.804596D+00  0.165332D+01  0.643949D+01  0.103634D+00
      6   0.757683D+00  0.167286D+01  0.395247D+01 -0.112082D+01  0.862166D+01
               351 
      1  -0.177907D+02
      2  -0.417626D+02
      3   0.595533D+02
      4   0.192523D+00
      5   0.487788D+01
      6  -0.654193D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Sep  7 01:18:01 2021, MaxMem=  8589934592 cpu:          368186.5 elap:           46032.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (B) (A)
                 (B) (A) (A) (A) (B) (A) (A) (B) (A) (B) (A) (B)
                 (A)
       Virtual   (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (A) (A) (B) (B) (B) (A) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (B)
                 (B) (A) (B) (A) (B) (A) (A) (B) (A) (A) (A) (B)
                 (B) (A) (A) (B) (A) (A) (B) (B) (A) (B) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (A) (B) (B) (B) (A) (B) (A) (A) (B) (A) (B)
                 (B) (A) (A) (B) (A) (B) (A) (B) (B) (A) (B) (B)
                 (A) (B) (A) (B) (A) (B) (A) (A) (B) (B) (B) (A)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (A)
                 (B) (B) (A) (A) (B) (B) (B) (A) (A) (A) (B) (B)
                 (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A)
                 (B) (A) (B) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (A) (B) (B) (A) (A) (B) (B) (A) (A) (B) (B)
                 (A) (B) (A) (B) (A) (A) (B) (A) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (B)
                 (A) (A) (A) (B) (B) (B) (A) (B) (A) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A) (A) (B) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (B) (A) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (B) (A) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B)
                 (A) (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (B)
                 (A) (A) (B) (A) (A) (B) (B) (A) (B) (B) (A) (B)
                 (A) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (B) (A)
                 (A) (A) (A) (B) (B) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (A) (B) (B) (B) (A) (B) (A) (A) (A) (B)
                 (B) (A) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (B) (B) (B) (A) (A) (B) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A) (B)
                 (B) (A) (B) (A) (B) (A) (A) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (A) (A) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (A) (A) (B) (B) (A)
                 (B) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (B) (A) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (B) (B) (B) (A) (A) (B) (A) (B) (A)
                 (B) (B) (A) (B) (A) (B) (A) (A) (B) (A) (A) (B)
                 (B) (A) (A) (B) (A) (B) (B) (B) (A) (B) (A) (B)
                 (B) (A) (B) (A) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (A) (B) (B) (B) (A) (B) (B)
                 (A) (B) (A) (B) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -300.06256 -35.92110 -31.33556 -31.33415 -31.30194
 Alpha  occ. eigenvalues --  -14.47208 -14.47208 -14.44522 -14.44522 -10.36165
 Alpha  occ. eigenvalues --  -10.36165 -10.34722 -10.34703 -10.31287 -10.31286
 Alpha  occ. eigenvalues --  -10.31135 -10.31116 -10.30637 -10.30636 -10.30038
 Alpha  occ. eigenvalues --  -10.30038 -10.28504 -10.28504 -10.27059 -10.27059
 Alpha  occ. eigenvalues --   -4.11262  -2.71159  -2.70797  -2.65506  -1.07651
 Alpha  occ. eigenvalues --   -1.06123  -1.04089  -1.02397  -0.95379  -0.88648
 Alpha  occ. eigenvalues --   -0.87483  -0.84839  -0.84542  -0.82827  -0.80859
 Alpha  occ. eigenvalues --   -0.76063  -0.74783  -0.69876  -0.69787  -0.67766
 Alpha  occ. eigenvalues --   -0.66362  -0.65216  -0.62434  -0.61941  -0.61361
 Alpha  occ. eigenvalues --   -0.60136  -0.59914  -0.58176  -0.56742  -0.56159
 Alpha  occ. eigenvalues --   -0.53234  -0.51657  -0.51512  -0.50639  -0.49883
 Alpha  occ. eigenvalues --   -0.49579  -0.48208  -0.47182  -0.46877  -0.46396
 Alpha  occ. eigenvalues --   -0.46244  -0.46034  -0.45821  -0.44871  -0.44522
 Alpha  occ. eigenvalues --   -0.42934  -0.42726  -0.41761  -0.41705  -0.40217
 Alpha  occ. eigenvalues --   -0.39152  -0.38487  -0.37135  -0.35576  -0.34780
 Alpha  occ. eigenvalues --   -0.31773  -0.30966  -0.29330  -0.26965  -0.26909
 Alpha virt. eigenvalues --    0.00078   0.02113   0.02608   0.03248   0.03385
 Alpha virt. eigenvalues --    0.03942   0.04477   0.04530   0.04913   0.05084
 Alpha virt. eigenvalues --    0.05426   0.05938   0.06180   0.06481   0.06850
 Alpha virt. eigenvalues --    0.06889   0.07744   0.07988   0.08069   0.08741
 Alpha virt. eigenvalues --    0.08995   0.09291   0.10032   0.10414   0.11077
 Alpha virt. eigenvalues --    0.11189   0.11449   0.11909   0.12036   0.12330
 Alpha virt. eigenvalues --    0.12387   0.12475   0.13201   0.13227   0.13454
 Alpha virt. eigenvalues --    0.13809   0.13980   0.14278   0.14315   0.14460
 Alpha virt. eigenvalues --    0.14943   0.14958   0.15301   0.15492   0.15704
 Alpha virt. eigenvalues --    0.16050   0.16287   0.16392   0.16648   0.16877
 Alpha virt. eigenvalues --    0.17259   0.17584   0.17975   0.18233   0.18275
 Alpha virt. eigenvalues --    0.18675   0.18820   0.18836   0.19082   0.19409
 Alpha virt. eigenvalues --    0.19467   0.20049   0.20264   0.20271   0.20399
 Alpha virt. eigenvalues --    0.20582   0.20982   0.21546   0.21690   0.22288
 Alpha virt. eigenvalues --    0.22294   0.22804   0.23438   0.23590   0.23626
 Alpha virt. eigenvalues --    0.24161   0.24365   0.24601   0.25360   0.25435
 Alpha virt. eigenvalues --    0.25721   0.26070   0.26161   0.26441   0.26461
 Alpha virt. eigenvalues --    0.26522   0.27274   0.27823   0.28010   0.28024
 Alpha virt. eigenvalues --    0.28187   0.28823   0.28873   0.29015   0.29547
 Alpha virt. eigenvalues --    0.29900   0.29912   0.30091   0.30513   0.30747
 Alpha virt. eigenvalues --    0.31078   0.31182   0.31567   0.32015   0.32038
 Alpha virt. eigenvalues --    0.32450   0.32965   0.32995   0.33175   0.33333
 Alpha virt. eigenvalues --    0.33398   0.33862   0.34025   0.34276   0.34406
 Alpha virt. eigenvalues --    0.34654   0.34925   0.35090   0.35276   0.35996
 Alpha virt. eigenvalues --    0.36049   0.36434   0.36691   0.37235   0.37380
 Alpha virt. eigenvalues --    0.37453   0.37860   0.38226   0.38806   0.38957
 Alpha virt. eigenvalues --    0.39296   0.39563   0.39625   0.40089   0.40196
 Alpha virt. eigenvalues --    0.40518   0.41047   0.41059   0.41859   0.42198
 Alpha virt. eigenvalues --    0.42330   0.42676   0.43133   0.43386   0.43677
 Alpha virt. eigenvalues --    0.44128   0.44325   0.44849   0.45316   0.45756
 Alpha virt. eigenvalues --    0.46041   0.46655   0.47097   0.47653   0.47717
 Alpha virt. eigenvalues --    0.48123   0.48293   0.49210   0.49293   0.49394
 Alpha virt. eigenvalues --    0.49420   0.50043   0.50577   0.50758   0.50894
 Alpha virt. eigenvalues --    0.51136   0.51665   0.51907   0.52175   0.52506
 Alpha virt. eigenvalues --    0.52806   0.53453   0.53833   0.54125   0.54350
 Alpha virt. eigenvalues --    0.54748   0.55040   0.55960   0.56206   0.56272
 Alpha virt. eigenvalues --    0.56359   0.56957   0.57070   0.57605   0.58093
 Alpha virt. eigenvalues --    0.58424   0.58527   0.59252   0.59345   0.59845
 Alpha virt. eigenvalues --    0.60143   0.60328   0.60769   0.61189   0.61204
 Alpha virt. eigenvalues --    0.61857   0.61880   0.62641   0.62748   0.63100
 Alpha virt. eigenvalues --    0.63189   0.63514   0.63769   0.63785   0.64990
 Alpha virt. eigenvalues --    0.65371   0.65459   0.65911   0.66354   0.66579
 Alpha virt. eigenvalues --    0.67198   0.67391   0.67529   0.68062   0.68389
 Alpha virt. eigenvalues --    0.68602   0.69261   0.69445   0.69820   0.70019
 Alpha virt. eigenvalues --    0.70533   0.70733   0.70896   0.70924   0.71956
 Alpha virt. eigenvalues --    0.72061   0.72367   0.72547   0.73405   0.73827
 Alpha virt. eigenvalues --    0.74066   0.74727   0.74955   0.75020   0.75101
 Alpha virt. eigenvalues --    0.75490   0.75842   0.76817   0.76944   0.77203
 Alpha virt. eigenvalues --    0.77476   0.78076   0.78161   0.78834   0.79000
 Alpha virt. eigenvalues --    0.80180   0.80309   0.80861   0.80965   0.81282
 Alpha virt. eigenvalues --    0.81768   0.81838   0.82861   0.82913   0.83348
 Alpha virt. eigenvalues --    0.83869   0.83947   0.84194   0.84933   0.85185
 Alpha virt. eigenvalues --    0.85386   0.85547   0.86015   0.86201   0.86589
 Alpha virt. eigenvalues --    0.87224   0.87414   0.87714   0.88717   0.88841
 Alpha virt. eigenvalues --    0.89157   0.89257   0.89363   0.89606   0.90390
 Alpha virt. eigenvalues --    0.91198   0.91223   0.91619   0.92421   0.92490
 Alpha virt. eigenvalues --    0.93453   0.93471   0.93722   0.94153   0.94610
 Alpha virt. eigenvalues --    0.95270   0.95361   0.96459   0.96662   0.96976
 Alpha virt. eigenvalues --    0.97285   0.97763   0.97938   0.98531   0.98828
 Alpha virt. eigenvalues --    0.99330   0.99629   1.00013   1.00937   1.01448
 Alpha virt. eigenvalues --    1.02416   1.02929   1.03646   1.03993   1.05381
 Alpha virt. eigenvalues --    1.06738   1.06962   1.07799   1.08608   1.08925
 Alpha virt. eigenvalues --    1.09071   1.09922   1.10516   1.10602   1.12025
 Alpha virt. eigenvalues --    1.12327   1.13396   1.14016   1.15256   1.15258
 Alpha virt. eigenvalues --    1.16540   1.16693   1.17113   1.17906   1.19351
 Alpha virt. eigenvalues --    1.20301   1.20523   1.20981   1.21701   1.22794
 Alpha virt. eigenvalues --    1.23758   1.24650   1.24756   1.25655   1.26511
 Alpha virt. eigenvalues --    1.26583   1.26775   1.28445   1.29033   1.29073
 Alpha virt. eigenvalues --    1.29249   1.29827   1.30466   1.32179   1.33168
 Alpha virt. eigenvalues --    1.34415   1.34485   1.35700   1.36631   1.37220
 Alpha virt. eigenvalues --    1.38797   1.38980   1.40684   1.41015   1.42126
 Alpha virt. eigenvalues --    1.42189   1.43641   1.44596   1.45356   1.45543
 Alpha virt. eigenvalues --    1.46199   1.47294   1.48004   1.48451   1.48892
 Alpha virt. eigenvalues --    1.49007   1.50660   1.51970   1.52517   1.53449
 Alpha virt. eigenvalues --    1.54337   1.54357   1.55296   1.55869   1.56999
 Alpha virt. eigenvalues --    1.58264   1.58599   1.58648   1.59744   1.60145
 Alpha virt. eigenvalues --    1.60870   1.62012   1.62527   1.62685   1.63324
 Alpha virt. eigenvalues --    1.63998   1.64433   1.65828   1.66353   1.66752
 Alpha virt. eigenvalues --    1.67545   1.68389   1.68707   1.69980   1.70519
 Alpha virt. eigenvalues --    1.70655   1.71213   1.71578   1.72038   1.72276
 Alpha virt. eigenvalues --    1.73006   1.73752   1.75055   1.75739   1.76043
 Alpha virt. eigenvalues --    1.76193   1.77104   1.78210   1.78459   1.78843
 Alpha virt. eigenvalues --    1.78989   1.80080   1.80582   1.81557   1.82005
 Alpha virt. eigenvalues --    1.82373   1.83121   1.84151   1.84366   1.85645
 Alpha virt. eigenvalues --    1.86887   1.86889   1.87745   1.88066   1.89057
 Alpha virt. eigenvalues --    1.89109   1.89472   1.90593   1.90879   1.91278
 Alpha virt. eigenvalues --    1.91347   1.92311   1.92642   1.95778   1.96404
 Alpha virt. eigenvalues --    1.96712   1.97190   1.97200   1.97431   1.97912
 Alpha virt. eigenvalues --    1.98283   1.99247   1.99875   2.00834   2.01515
 Alpha virt. eigenvalues --    2.01802   2.02785   2.03349   2.04015   2.04026
 Alpha virt. eigenvalues --    2.05155   2.05370   2.06381   2.07018   2.07493
 Alpha virt. eigenvalues --    2.07814   2.08769   2.09037   2.09587   2.09592
 Alpha virt. eigenvalues --    2.10736   2.11266   2.12098   2.13656   2.14467
 Alpha virt. eigenvalues --    2.14796   2.15163   2.15496   2.15816   2.16858
 Alpha virt. eigenvalues --    2.17287   2.18402   2.19285   2.19911   2.20658
 Alpha virt. eigenvalues --    2.21909   2.22063   2.23906   2.24367   2.24740
 Alpha virt. eigenvalues --    2.25918   2.26656   2.26862   2.29152   2.29775
 Alpha virt. eigenvalues --    2.31210   2.33555   2.33793   2.35134   2.36678
 Alpha virt. eigenvalues --    2.37780   2.37848   2.39928   2.41192   2.41871
 Alpha virt. eigenvalues --    2.42224   2.42337   2.42450   2.43344   2.44617
 Alpha virt. eigenvalues --    2.46056   2.46563   2.47746   2.48662   2.49537
 Alpha virt. eigenvalues --    2.50483   2.52004   2.52200   2.54698   2.55405
 Alpha virt. eigenvalues --    2.56105   2.58445   2.58830   2.60021   2.61395
 Alpha virt. eigenvalues --    2.61698   2.61947   2.63789   2.64025   2.64920
 Alpha virt. eigenvalues --    2.65465   2.66447   2.67272   2.68303   2.69069
 Alpha virt. eigenvalues --    2.69656   2.70612   2.71621   2.72153   2.72259
 Alpha virt. eigenvalues --    2.73098   2.73203   2.75866   2.75941   2.77158
 Alpha virt. eigenvalues --    2.77433   2.78609   2.78806   2.79585   2.81719
 Alpha virt. eigenvalues --    2.82936   2.83683   2.85204   2.85209   2.87684
 Alpha virt. eigenvalues --    2.88846   2.90681   2.91128   2.93517   2.93719
 Alpha virt. eigenvalues --    2.95234   2.97555   2.98045   3.01935   3.02283
 Alpha virt. eigenvalues --    3.04594   3.06197   3.08384   3.09113   3.12233
 Alpha virt. eigenvalues --    3.13923   3.17378   3.18673   3.19342   3.22306
 Alpha virt. eigenvalues --    3.24965   3.29332   3.31662   3.36195   3.38107
 Alpha virt. eigenvalues --    3.39154   3.43346   3.48766   3.49427   3.54150
 Alpha virt. eigenvalues --    3.61065   3.62420   3.67864   3.71476   3.76165
 Alpha virt. eigenvalues --    3.89829   3.92630   4.08974   4.13918   4.16597
 Alpha virt. eigenvalues --    4.25071   4.28298   4.41747   4.60054   5.40296
 Alpha virt. eigenvalues --    5.53824   5.61494   5.68460   5.76734   6.10151
 Alpha virt. eigenvalues --    6.24161
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Ni  58.787400  -0.898816   0.261304   0.261304  -0.898816  -5.529605
     2  N   -0.898816   8.484584  -0.905462   0.290092  -0.270885   0.507660
     3  N    0.261304  -0.905462  11.618781  -0.840967   0.290092   0.070848
     4  N    0.261304   0.290092  -0.840967  11.618781  -0.905462   0.338333
     5  N   -0.898816  -0.270885   0.290092  -0.905462   8.484584  -0.191802
     6  C   -5.529605   0.507660   0.070848   0.338333  -0.191802  17.647180
     7  H    0.506894  -0.295679  -0.091456   0.008216   0.001792  -0.680521
     8  C    2.600516  -0.028993  -0.229513  -0.092891   0.152292  -8.038023
     9  H   -0.101370  -0.121450   0.004431  -0.002093  -0.000717   0.573925
    10  C   -3.333643  -0.379823   0.124970   0.035586  -0.026911   6.387916
    11  H    0.238419   0.104802  -0.055398   0.003927  -0.000466  -0.508420
    12  C    2.036108   0.384825   0.491444   0.245811  -0.168083  -4.144417
    13  C   -5.899488   0.300445  -1.463128  -1.244877   0.555206  -2.089214
    14  H   -0.198325  -0.062093   0.020330  -0.027319  -0.011165   0.079128
    15  C   -4.146753  -0.582085  -4.899647   2.278225   0.179829   0.106436
    16  H    0.033173  -0.027871  -0.069767  -0.553901  -0.035687   0.006139
    17  C    0.147628   0.094922   0.824320   0.439823  -0.035730   0.035126
    18  H   -0.006514  -0.012654   0.086592  -0.046772   0.001520  -0.001726
    19  H   -0.034470  -0.002790  -0.456342   0.014526  -0.005735   0.003757
    20  C   -0.213533   0.002063   0.251990   0.115347  -0.000887  -0.003798
    21  H    0.042797   0.001678  -0.005094   0.021227  -0.001971   0.000779
    22  H    0.001900  -0.000356  -0.023274  -0.012312   0.000030  -0.000255
    23  C   -0.213533  -0.000887   0.115347   0.251990   0.002063  -0.002668
    24  H    0.001900   0.000030  -0.012312  -0.023274  -0.000356   0.000088
    25  H    0.042797  -0.001971   0.021227  -0.005094   0.001678  -0.001302
    26  C    0.147628  -0.035730   0.439823   0.824320   0.094922  -0.012197
    27  H   -0.034470  -0.005735   0.014526  -0.456342  -0.002790  -0.001848
    28  H   -0.006514   0.001520  -0.046772   0.086592  -0.012654  -0.001090
    29  C   -4.146753   0.179829   2.278225  -4.899647  -0.582085   0.164886
    30  H    0.033173  -0.035687  -0.553901  -0.069767  -0.027871   0.002510
    31  C   -5.899488   0.555206  -1.244877  -1.463128   0.300445   0.196031
    32  H   -0.198325  -0.011165  -0.027319   0.020330  -0.062093   0.014629
    33  C    2.036108  -0.168083   0.245811   0.491444   0.384825  -0.187922
    34  C   -3.333643  -0.026911   0.035586   0.124970  -0.379823   0.072587
    35  H    0.238419  -0.000466   0.003927  -0.055398   0.104802  -0.002305
    36  C    2.600516   0.152292  -0.092891  -0.229513  -0.028993  -0.052029
    37  H   -0.101370  -0.000717  -0.002093   0.004431  -0.121450   0.021878
    38  C   -5.529605  -0.191802   0.338333   0.070848   0.507660   0.676119
    39  H    0.506894   0.001792   0.008216  -0.091456  -0.295679  -0.183703
               7          8          9         10         11         12
     1  Ni   0.506894   2.600516  -0.101370  -3.333643   0.238419   2.036108
     2  N   -0.295679  -0.028993  -0.121450  -0.379823   0.104802   0.384825
     3  N   -0.091456  -0.229513   0.004431   0.124970  -0.055398   0.491444
     4  N    0.008216  -0.092891  -0.002093   0.035586   0.003927   0.245811
     5  N    0.001792   0.152292  -0.000717  -0.026911  -0.000466  -0.168083
     6  C   -0.680521  -8.038023   0.573925   6.387916  -0.508420  -4.144417
     7  H    2.934104   0.104975  -0.044609  -0.236995  -0.028803  -0.028805
     8  C    0.104975  14.287535  -1.147538  -5.994892   0.542175   3.193058
     9  H   -0.044609  -1.147538   1.947141   0.412584  -0.007867   0.038180
    10  C   -0.236995  -5.994892   0.412584  20.840857  -2.040436 -10.726011
    11  H   -0.028803   0.542175  -0.007867  -2.040436   2.082046   1.501955
    12  C   -0.028805   3.193058   0.038180 -10.726011   1.501955  21.943173
    13  C   -0.163516   0.645726   0.036689  -0.242771  -0.138465  -9.418470
    14  H    0.020563   0.050041  -0.001833  -0.394364  -0.014645   1.159980
    15  C    0.029113  -0.177971  -0.006285   0.060448  -0.027289   0.875033
    16  H   -0.001328  -0.012374   0.000247  -0.016396  -0.002144  -0.095445
    17  C    0.001360   0.007567  -0.000143   0.084505   0.004669  -0.043746
    18  H   -0.000905  -0.007593  -0.000064   0.056024  -0.000859  -0.131592
    19  H    0.000217  -0.004950  -0.000025   0.007873  -0.000010  -0.070936
    20  C    0.000299   0.008041   0.000114  -0.020384  -0.000165   0.084543
    21  H    0.000113   0.000429  -0.000015   0.000517   0.000191   0.015952
    22  H    0.000017   0.000294   0.000008  -0.002490  -0.000197  -0.002304
    23  C   -0.000678  -0.000098   0.000038  -0.000067  -0.000658  -0.039511
    24  H    0.000007  -0.000037  -0.000001  -0.000132  -0.000010  -0.001181
    25  H   -0.000248   0.000283   0.000007   0.001360  -0.000002   0.001299
    26  C    0.000116   0.006441   0.000118   0.002004  -0.000122   0.119883
    27  H   -0.000352   0.000561   0.000004   0.000927  -0.000048  -0.005723
    28  H    0.000334   0.001375   0.000033  -0.002052  -0.000067   0.006656
    29  C   -0.025686   0.038413   0.001697  -0.252337  -0.003401  -1.126556
    30  H   -0.001477  -0.006196   0.000032  -0.011125  -0.000117  -0.024827
    31  C    0.050369  -0.266801  -0.006038   0.242456   0.005253   0.519115
    32  H   -0.005677  -0.008082  -0.000191   0.009330   0.000189  -0.016984
    33  C    0.086973   0.179012  -0.001080  -0.081601  -0.000387  -0.412123
    34  C   -0.016460   0.092706   0.002964  -0.050244  -0.001540  -0.081601
    35  H    0.000595   0.002551   0.000074  -0.001540  -0.000049  -0.000387
    36  C    0.036269  -0.289854  -0.006460   0.092706   0.002551   0.179012
    37  H    0.000569  -0.006460  -0.000132   0.002964   0.000074  -0.001080
    38  C   -0.183703  -0.052029   0.021878   0.072587  -0.002305  -0.187922
    39  H   -0.234635   0.036269   0.000569  -0.016460   0.000595   0.086973
              13         14         15         16         17         18
     1  Ni  -5.899488  -0.198325  -4.146753   0.033173   0.147628  -0.006514
     2  N    0.300445  -0.062093  -0.582085  -0.027871   0.094922  -0.012654
     3  N   -1.463128   0.020330  -4.899647  -0.069767   0.824320   0.086592
     4  N   -1.244877  -0.027319   2.278225  -0.553901   0.439823  -0.046772
     5  N    0.555206  -0.011165   0.179829  -0.035687  -0.035730   0.001520
     6  C   -2.089214   0.079128   0.106436   0.006139   0.035126  -0.001726
     7  H   -0.163516   0.020563   0.029113  -0.001328   0.001360  -0.000905
     8  C    0.645726   0.050041  -0.177971  -0.012374   0.007567  -0.007593
     9  H    0.036689  -0.001833  -0.006285   0.000247  -0.000143  -0.000064
    10  C   -0.242771  -0.394364   0.060448  -0.016396   0.084505   0.056024
    11  H   -0.138465  -0.014645  -0.027289  -0.002144   0.004669  -0.000859
    12  C   -9.418470   1.159980   0.875033  -0.095445  -0.043746  -0.131592
    13  C   26.747954  -2.131408  -1.403676   0.192102  -0.626775   0.271012
    14  H   -2.131408   2.978990   0.477268   0.031147  -0.025829  -0.153800
    15  C   -1.403676   0.477268  29.132215  -1.532657  -2.143873  -0.202297
    16  H    0.192102   0.031147  -1.532657   3.031465  -0.157189  -0.130566
    17  C   -0.626775  -0.025829  -2.143873  -0.157189   7.494905  -0.681941
    18  H    0.271012  -0.153800  -0.202297  -0.130566  -0.681941   2.489464
    19  H    0.165070  -0.017161   0.932020   0.167352  -0.269893  -0.562630
    20  C   -0.260265  -0.000562  -1.032149  -0.141620   0.435257   0.034899
    21  H   -0.063306   0.000685   0.055334  -0.004380   0.023463  -0.178771
    22  H    0.015944   0.010988   0.232644   0.019572   0.149139  -0.030447
    23  C    0.218230   0.017032  -0.045453   0.017931  -0.156453   0.063573
    24  H    0.002693  -0.002267   0.036654   0.005810   0.025196   0.009991
    25  H    0.005534  -0.000917  -0.201200  -0.016491   0.051876   0.018393
    26  C   -0.156954  -0.006071  -0.495785  -0.269355  -0.030495   0.067382
    27  H    0.018966   0.001736  -0.530347   0.073105  -0.066571   0.022852
    28  H   -0.017300   0.002226   0.460618   0.027490   0.067382  -0.014791
    29  C    1.301125   0.096633 -13.039584   0.965076  -0.495785   0.460618
    30  H    0.031815   0.009633   0.965076   0.246441  -0.269355   0.027490
    31  C   -0.598367  -0.022183   1.301125   0.031815  -0.156954  -0.017300
    32  H   -0.022183  -0.003808   0.096633   0.009633  -0.006071   0.002226
    33  C    0.519115  -0.016984  -1.126556  -0.024827   0.119883   0.006656
    34  C    0.242456   0.009330  -0.252337  -0.011125   0.002004  -0.002052
    35  H    0.005253   0.000189  -0.003401  -0.000117  -0.000122  -0.000067
    36  C   -0.266801  -0.008082   0.038413  -0.006196   0.006441   0.001375
    37  H   -0.006038  -0.000191   0.001697   0.000032   0.000118   0.000033
    38  C    0.196031   0.014629   0.164886   0.002510  -0.012197  -0.001090
    39  H    0.050369  -0.005677  -0.025686  -0.001477   0.000116   0.000334
              19         20         21         22         23         24
     1  Ni  -0.034470  -0.213533   0.042797   0.001900  -0.213533   0.001900
     2  N   -0.002790   0.002063   0.001678  -0.000356  -0.000887   0.000030
     3  N   -0.456342   0.251990  -0.005094  -0.023274   0.115347  -0.012312
     4  N    0.014526   0.115347   0.021227  -0.012312   0.251990  -0.023274
     5  N   -0.005735  -0.000887  -0.001971   0.000030   0.002063  -0.000356
     6  C    0.003757  -0.003798   0.000779  -0.000255  -0.002668   0.000088
     7  H    0.000217   0.000299   0.000113   0.000017  -0.000678   0.000007
     8  C   -0.004950   0.008041   0.000429   0.000294  -0.000098  -0.000037
     9  H   -0.000025   0.000114  -0.000015   0.000008   0.000038  -0.000001
    10  C    0.007873  -0.020384   0.000517  -0.002490  -0.000067  -0.000132
    11  H   -0.000010  -0.000165   0.000191  -0.000197  -0.000658  -0.000010
    12  C   -0.070936   0.084543   0.015952  -0.002304  -0.039511  -0.001181
    13  C    0.165070  -0.260265  -0.063306   0.015944   0.218230   0.002693
    14  H   -0.017161  -0.000562   0.000685   0.010988   0.017032  -0.002267
    15  C    0.932020  -1.032149   0.055334   0.232644  -0.045453   0.036654
    16  H    0.167352  -0.141620  -0.004380   0.019572   0.017931   0.005810
    17  C   -0.269893   0.435257   0.023463   0.149139  -0.156453   0.025196
    18  H   -0.562630   0.034899  -0.178771  -0.030447   0.063573   0.009991
    19  H    2.211510  -0.135318   0.103046  -0.128142  -0.005999   0.005792
    20  C   -0.135318   6.176911   0.042252  -0.484719   0.179395   0.174150
    21  H    0.103046   0.042252   1.926102  -0.413746  -0.074202  -0.141949
    22  H   -0.128142  -0.484719  -0.413746   1.887081   0.174150   0.001371
    23  C   -0.005999   0.179395  -0.074202   0.174150   6.176911  -0.484719
    24  H    0.005792   0.174150  -0.141949   0.001371  -0.484719   1.887081
    25  H   -0.024319  -0.074202   0.114376  -0.141949   0.042252  -0.413746
    26  C   -0.066571  -0.156453   0.051876   0.025196   0.435257   0.149139
    27  H   -0.025774  -0.005999  -0.024319   0.005792  -0.135318  -0.128142
    28  H    0.022852   0.063573   0.018393   0.009991   0.034899  -0.030447
    29  C   -0.530347  -0.045453  -0.201200   0.036654  -1.032149   0.232644
    30  H    0.073105   0.017931  -0.016491   0.005810  -0.141620   0.019572
    31  C    0.018966   0.218230   0.005534   0.002693  -0.260265   0.015944
    32  H    0.001736   0.017032  -0.000917  -0.002267  -0.000562   0.010988
    33  C   -0.005723  -0.039511   0.001299  -0.001181   0.084543  -0.002304
    34  C    0.000927  -0.000067   0.001360  -0.000132  -0.020384  -0.002490
    35  H   -0.000048  -0.000658  -0.000002  -0.000010  -0.000165  -0.000197
    36  C    0.000561  -0.000098   0.000283  -0.000037   0.008041   0.000294
    37  H    0.000004   0.000038   0.000007  -0.000001   0.000114   0.000008
    38  C   -0.001848  -0.002668  -0.001302   0.000088  -0.003798  -0.000255
    39  H   -0.000352  -0.000678  -0.000248   0.000007   0.000299   0.000017
              25         26         27         28         29         30
     1  Ni   0.042797   0.147628  -0.034470  -0.006514  -4.146753   0.033173
     2  N   -0.001971  -0.035730  -0.005735   0.001520   0.179829  -0.035687
     3  N    0.021227   0.439823   0.014526  -0.046772   2.278225  -0.553901
     4  N   -0.005094   0.824320  -0.456342   0.086592  -4.899647  -0.069767
     5  N    0.001678   0.094922  -0.002790  -0.012654  -0.582085  -0.027871
     6  C   -0.001302  -0.012197  -0.001848  -0.001090   0.164886   0.002510
     7  H   -0.000248   0.000116  -0.000352   0.000334  -0.025686  -0.001477
     8  C    0.000283   0.006441   0.000561   0.001375   0.038413  -0.006196
     9  H    0.000007   0.000118   0.000004   0.000033   0.001697   0.000032
    10  C    0.001360   0.002004   0.000927  -0.002052  -0.252337  -0.011125
    11  H   -0.000002  -0.000122  -0.000048  -0.000067  -0.003401  -0.000117
    12  C    0.001299   0.119883  -0.005723   0.006656  -1.126556  -0.024827
    13  C    0.005534  -0.156954   0.018966  -0.017300   1.301125   0.031815
    14  H   -0.000917  -0.006071   0.001736   0.002226   0.096633   0.009633
    15  C   -0.201200  -0.495785  -0.530347   0.460618 -13.039584   0.965076
    16  H   -0.016491  -0.269355   0.073105   0.027490   0.965076   0.246441
    17  C    0.051876  -0.030495  -0.066571   0.067382  -0.495785  -0.269355
    18  H    0.018393   0.067382   0.022852  -0.014791   0.460618   0.027490
    19  H   -0.024319  -0.066571  -0.025774   0.022852  -0.530347   0.073105
    20  C   -0.074202  -0.156453  -0.005999   0.063573  -0.045453   0.017931
    21  H    0.114376   0.051876  -0.024319   0.018393  -0.201200  -0.016491
    22  H   -0.141949   0.025196   0.005792   0.009991   0.036654   0.005810
    23  C    0.042252   0.435257  -0.135318   0.034899  -1.032149  -0.141620
    24  H   -0.413746   0.149139  -0.128142  -0.030447   0.232644   0.019572
    25  H    1.926102   0.023463   0.103046  -0.178771   0.055334  -0.004380
    26  C    0.023463   7.494905  -0.269893  -0.681941  -2.143873  -0.157189
    27  H    0.103046  -0.269893   2.211510  -0.562630   0.932020   0.167352
    28  H   -0.178771  -0.681941  -0.562630   2.489464  -0.202297  -0.130566
    29  C    0.055334  -2.143873   0.932020  -0.202297  29.132215  -1.532657
    30  H   -0.004380  -0.157189   0.167352  -0.130566  -1.532657   3.031465
    31  C   -0.063306  -0.626775   0.165070   0.271012  -1.403676   0.192102
    32  H    0.000685  -0.025829  -0.017161  -0.153800   0.477268   0.031147
    33  C    0.015952  -0.043746  -0.070936  -0.131592   0.875033  -0.095445
    34  C    0.000517   0.084505   0.007873   0.056024   0.060448  -0.016396
    35  H    0.000191   0.004669  -0.000010  -0.000859  -0.027289  -0.002144
    36  C    0.000429   0.007567  -0.004950  -0.007593  -0.177971  -0.012374
    37  H   -0.000015  -0.000143  -0.000025  -0.000064  -0.006285   0.000247
    38  C    0.000779   0.035126   0.003757  -0.001726   0.106436   0.006139
    39  H    0.000113   0.001360   0.000217  -0.000905   0.029113  -0.001328
              31         32         33         34         35         36
     1  Ni  -5.899488  -0.198325   2.036108  -3.333643   0.238419   2.600516
     2  N    0.555206  -0.011165  -0.168083  -0.026911  -0.000466   0.152292
     3  N   -1.244877  -0.027319   0.245811   0.035586   0.003927  -0.092891
     4  N   -1.463128   0.020330   0.491444   0.124970  -0.055398  -0.229513
     5  N    0.300445  -0.062093   0.384825  -0.379823   0.104802  -0.028993
     6  C    0.196031   0.014629  -0.187922   0.072587  -0.002305  -0.052029
     7  H    0.050369  -0.005677   0.086973  -0.016460   0.000595   0.036269
     8  C   -0.266801  -0.008082   0.179012   0.092706   0.002551  -0.289854
     9  H   -0.006038  -0.000191  -0.001080   0.002964   0.000074  -0.006460
    10  C    0.242456   0.009330  -0.081601  -0.050244  -0.001540   0.092706
    11  H    0.005253   0.000189  -0.000387  -0.001540  -0.000049   0.002551
    12  C    0.519115  -0.016984  -0.412123  -0.081601  -0.000387   0.179012
    13  C   -0.598367  -0.022183   0.519115   0.242456   0.005253  -0.266801
    14  H   -0.022183  -0.003808  -0.016984   0.009330   0.000189  -0.008082
    15  C    1.301125   0.096633  -1.126556  -0.252337  -0.003401   0.038413
    16  H    0.031815   0.009633  -0.024827  -0.011125  -0.000117  -0.006196
    17  C   -0.156954  -0.006071   0.119883   0.002004  -0.000122   0.006441
    18  H   -0.017300   0.002226   0.006656  -0.002052  -0.000067   0.001375
    19  H    0.018966   0.001736  -0.005723   0.000927  -0.000048   0.000561
    20  C    0.218230   0.017032  -0.039511  -0.000067  -0.000658  -0.000098
    21  H    0.005534  -0.000917   0.001299   0.001360  -0.000002   0.000283
    22  H    0.002693  -0.002267  -0.001181  -0.000132  -0.000010  -0.000037
    23  C   -0.260265  -0.000562   0.084543  -0.020384  -0.000165   0.008041
    24  H    0.015944   0.010988  -0.002304  -0.002490  -0.000197   0.000294
    25  H   -0.063306   0.000685   0.015952   0.000517   0.000191   0.000429
    26  C   -0.626775  -0.025829  -0.043746   0.084505   0.004669   0.007567
    27  H    0.165070  -0.017161  -0.070936   0.007873  -0.000010  -0.004950
    28  H    0.271012  -0.153800  -0.131592   0.056024  -0.000859  -0.007593
    29  C   -1.403676   0.477268   0.875033   0.060448  -0.027289  -0.177971
    30  H    0.192102   0.031147  -0.095445  -0.016396  -0.002144  -0.012374
    31  C   26.747954  -2.131408  -9.418470  -0.242771  -0.138465   0.645726
    32  H   -2.131408   2.978990   1.159980  -0.394364  -0.014645   0.050041
    33  C   -9.418470   1.159980  21.943173 -10.726011   1.501955   3.193058
    34  C   -0.242771  -0.394364 -10.726011  20.840857  -2.040436  -5.994892
    35  H   -0.138465  -0.014645   1.501955  -2.040436   2.082046   0.542175
    36  C    0.645726   0.050041   3.193058  -5.994892   0.542175  14.287535
    37  H    0.036689  -0.001833   0.038180   0.412584  -0.007867  -1.147538
    38  C   -2.089214   0.079128  -4.144417   6.387916  -0.508420  -8.038023
    39  H   -0.163516   0.020563  -0.028805  -0.236995  -0.028803   0.104975
              37         38         39
     1  Ni  -0.101370  -5.529605   0.506894
     2  N   -0.000717  -0.191802   0.001792
     3  N   -0.002093   0.338333   0.008216
     4  N    0.004431   0.070848  -0.091456
     5  N   -0.121450   0.507660  -0.295679
     6  C    0.021878   0.676119  -0.183703
     7  H    0.000569  -0.183703  -0.234635
     8  C   -0.006460  -0.052029   0.036269
     9  H   -0.000132   0.021878   0.000569
    10  C    0.002964   0.072587  -0.016460
    11  H    0.000074  -0.002305   0.000595
    12  C   -0.001080  -0.187922   0.086973
    13  C   -0.006038   0.196031   0.050369
    14  H   -0.000191   0.014629  -0.005677
    15  C    0.001697   0.164886  -0.025686
    16  H    0.000032   0.002510  -0.001477
    17  C    0.000118  -0.012197   0.000116
    18  H    0.000033  -0.001090   0.000334
    19  H    0.000004  -0.001848  -0.000352
    20  C    0.000038  -0.002668  -0.000678
    21  H    0.000007  -0.001302  -0.000248
    22  H   -0.000001   0.000088   0.000007
    23  C    0.000114  -0.003798   0.000299
    24  H    0.000008  -0.000255   0.000017
    25  H   -0.000015   0.000779   0.000113
    26  C   -0.000143   0.035126   0.001360
    27  H   -0.000025   0.003757   0.000217
    28  H   -0.000064  -0.001726  -0.000905
    29  C   -0.006285   0.106436   0.029113
    30  H    0.000247   0.006139  -0.001328
    31  C    0.036689  -2.089214  -0.163516
    32  H   -0.001833   0.079128   0.020563
    33  C    0.038180  -4.144417  -0.028805
    34  C    0.412584   6.387916  -0.236995
    35  H   -0.007867  -0.508420  -0.028803
    36  C   -1.147538  -8.038023   0.104975
    37  H    1.947141   0.573925  -0.044609
    38  C    0.573925  17.647180  -0.680521
    39  H   -0.044609  -0.680521   2.934104
 Mulliken charges:
               1
     1  Ni  -1.799841
     2  N    0.006370
     3  N    0.474088
     4  N    0.474088
     5  N    0.006370
     6  C    0.726892
     7  H   -0.741361
     8  C    0.414035
     9  H   -0.592822
    10  C    1.395058
    11  H   -0.652977
    12  C   -0.155296
    13  C    0.691267
    14  H   -0.875842
    15  C    0.451364
    16  H   -0.750130
    17  C    1.163421
    18  H   -0.436003
    19  H   -0.379933
    20  C    0.797124
    21  H   -0.299782
    22  H   -0.335552
    23  C    0.797124
    24  H   -0.335552
    25  H   -0.299782
    26  C    1.163421
    27  H   -0.379933
    28  H   -0.436003
    29  C    0.451364
    30  H   -0.750130
    31  C    0.691267
    32  H   -0.875842
    33  C   -0.155296
    34  C    1.395058
    35  H   -0.652977
    36  C    0.414035
    37  H   -0.592822
    38  C    0.726892
    39  H   -0.741361
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Ni  -1.799841
     2  N    0.006370
     3  N    0.474088
     4  N    0.474088
     5  N    0.006370
     6  C   -0.014469
     8  C   -0.178787
    10  C    0.742081
    12  C   -0.155296
    13  C   -0.184575
    15  C   -0.298766
    17  C    0.347485
    20  C    0.161790
    23  C    0.161790
    26  C    0.347485
    29  C   -0.298766
    31  C   -0.184575
    33  C   -0.155296
    34  C    0.742081
    36  C   -0.178787
    38  C   -0.014469
 Electronic spatial extent (au):  <R**2>=           6520.8849
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -6.0376  Tot=              6.0376
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -136.4260   YY=           -125.6295   ZZ=           -118.8180
   XY=              0.8520   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.4682   YY=              1.3283   ZZ=              8.1399
   XY=              0.8520   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=              0.0000  ZZZ=             -5.5531  XYY=              0.0000
  XXY=              0.0000  XXZ=            -16.9609  XZZ=              0.0000  YZZ=              0.0000
  YYZ=            -28.5875  XYZ=             -2.7817
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -224.1868 YYYY=          -3551.9235 ZZZZ=          -4797.2288 XXXY=             84.9716
 XXXZ=             -0.0000 YYYX=             63.9747 YYYZ=              0.0000 ZZZX=             -0.0000
 ZZZY=             -0.0000 XXYY=           -743.6037 XXZZ=           -926.3450 YYZZ=          -1461.1514
 XXYZ=             -0.0000 YYXZ=             -0.0000 ZZXY=             11.7933
 N-N= 2.160815517152D+03 E-N=-9.874207245213D+03  KE= 2.340932471920D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Sep  7 01:18:03 2021, MaxMem=  8589934592 cpu:              10.0 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 5.94251399D-15 1.49358537D-13-2.19508104D+00
 Polarizability= 1.33441883D+02-8.65866184D+00 2.96385123D+02
                 1.57723984D-08 9.90178767D-07 3.31180958D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0002   -0.0000       -5.5802   -5.5877
 2      0.0001    0.0000       -0.0002    0.0000       89.1993   89.1806
 3      5.5722    5.5877     -117.5024 -117.5056       -0.0006   -0.0000
 4      0.0000   -0.0000        0.0000    0.0000        5.5886    5.5877
 5     28.2994   28.3250       -5.5904   -5.5877       -0.0002   -0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0001    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000      -16.7631  -16.7631
 2     -0.0000   -0.0000        0.0000    0.0000      -16.7630  -16.7631
 3      0.0000   -0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000      267.5417  267.5417
 5     16.7629   16.7631     -352.5167 -352.5167       -0.0000   -0.0000
 6     84.9750   84.9750      -16.7633  -16.7631       -0.0000   -0.0000
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       22.1900   22.3508
 2      0.0000   -0.0000        0.0000   -0.0000     -356.6321 -356.7223
 3    -22.4321  -22.3508      470.0988  470.0223       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000      -22.4203  -22.3508
 5   -114.7585 -113.3001       22.6283   22.3508        0.0000    0.0000
 6     -0.0000   -0.0000        0.0000   -0.0000        0.3969    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0004   -0.0000      196.9950  196.5787
 2      0.0032    0.0000       -0.0059   -0.0000      306.1825  305.5887
 3   -185.8351 -196.5787      -64.5955  -59.7715       -0.0018    0.0000
 4      0.0005    0.0000        0.0012    0.0000     -187.4057 -196.5787
 5   -276.2183 -245.8171      229.6954  196.5787        0.0009   -0.0000
 6      0.0024   -0.0000       -0.0002    0.0000       -4.3829    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000   -0.0000     -678.0574 -679.1386
 2      0.0000    0.0000       -0.0000    0.0000     -678.1266 -679.1386
 3     -0.0000    0.0000       -0.0000   -0.0000     -486.3108 -487.0444
 4      0.0000   -0.0000        0.0000   -0.0000       -4.4654   -5.9980
 5    198.0549  192.0942     -125.8281 -122.6919        0.0000    0.0000
 6    128.5188  128.6898     -191.0380 -192.0942       -0.0000    0.0000
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.4568    0.0068    0.0070    0.0075    0.5431    5.1019
 Low frequencies ---   48.9603   55.8029   70.3860
 Diagonal vibrational polarizability:
       28.4089659      15.0434278      27.8453606
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      B                      A                      B
 Frequencies --     48.9601                55.8029                70.3859
 Red. masses --      6.0008                 3.6632                 4.0167
 Frc consts  --      0.0085                 0.0067                 0.0117
 IR Inten    --      1.2377                 0.1008                 0.0909
 RamAct Fr= 1--      2.5872                 2.3286                 7.5390
  Dep-P Fr= 1--      0.7500                 0.7384                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8495                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.3696                 0.3297                 1.0770
 AlphaG Fr= 1--     -0.0000                 0.0989                 0.0000
 Gamma2 Fr= 1--      8.9562                18.4894                -1.5827
 Delta2 Fr= 1--     -0.8751                 4.2201                -0.0981
 Raman1 Fr= 1--      10.349                  9.315                 30.156
 ROA1   Fr= 1--     831.789               1910.030               -155.082
 CID1   Fr= 1--      80.374                205.059                 -5.143
 Raman2 Fr= 1--       4.435                  3.956                 12.924
 ROA2   Fr= 1--     221.949                409.986                -37.200
 CID2   Fr= 1--      50.042                103.628                 -2.878
 Raman3 Fr= 1--       8.871                  7.913                 25.848
 ROA3   Fr= 1--     831.789               1910.030               -155.082
 CID3   Fr= 1--      93.770                241.391                 -6.000
 RC180  Fr= 1--       0.714                  0.699                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.18   0.00  -0.00     0.00   0.00   0.01    -0.03  -0.00  -0.00
     2   7     0.09   0.00  -0.00    -0.01   0.00  -0.00    -0.06  -0.00  -0.00
     3   7     0.13  -0.00   0.00     0.09  -0.00   0.01     0.09  -0.00  -0.00
     4   7     0.13  -0.00  -0.00    -0.09   0.00   0.01     0.09  -0.00   0.00
     5   7     0.09   0.00   0.00     0.01  -0.00  -0.00    -0.06  -0.00   0.00
     6   6     0.00  -0.00  -0.01    -0.14   0.00  -0.01    -0.17  -0.00  -0.01
     7   1     0.07  -0.00  -0.01    -0.22   0.00  -0.01    -0.31  -0.01  -0.02
     8   6    -0.19  -0.01  -0.02    -0.17   0.00  -0.02    -0.07   0.00  -0.01
     9   1    -0.29  -0.02  -0.03    -0.26   0.00  -0.03    -0.12   0.00  -0.02
    10   6    -0.22  -0.01  -0.02    -0.05   0.00  -0.01     0.11   0.00  -0.00
    11   1    -0.36  -0.02  -0.03    -0.03   0.00  -0.02     0.23   0.01  -0.00
    12   6    -0.04  -0.01  -0.01     0.05   0.00  -0.00     0.11   0.00   0.00
    13   6    -0.03  -0.00  -0.01     0.11  -0.00  -0.00     0.18  -0.00   0.01
    14   1    -0.16  -0.00  -0.02     0.14  -0.01  -0.00     0.28  -0.00   0.01
    15   6     0.05   0.01  -0.02     0.07  -0.03   0.01     0.06   0.00  -0.01
    16   1     0.05   0.01  -0.08     0.05  -0.14   0.04     0.06   0.01  -0.07
    17   6    -0.03   0.01   0.02     0.18   0.02   0.00    -0.03   0.00   0.02
    18   1    -0.03   0.01  -0.02     0.29  -0.04   0.01    -0.02  -0.00  -0.02
    19   1    -0.03   0.02   0.10     0.19   0.15  -0.01    -0.02   0.02   0.12
    20   6    -0.14   0.02  -0.02     0.09  -0.04   0.01    -0.15   0.01  -0.02
    21   1    -0.14   0.02  -0.11     0.09  -0.18   0.02    -0.16   0.01  -0.13
    22   1    -0.21   0.02   0.01     0.17   0.01   0.01    -0.23   0.01   0.02
    23   6    -0.14   0.02   0.02    -0.09   0.04   0.01    -0.15   0.01   0.02
    24   1    -0.21   0.02  -0.01    -0.17  -0.01   0.01    -0.23   0.01  -0.02
    25   1    -0.14   0.02   0.11    -0.09   0.18   0.02    -0.16   0.01   0.13
    26   6    -0.03   0.01  -0.02    -0.18  -0.02   0.00    -0.03   0.00  -0.02
    27   1    -0.03   0.02  -0.10    -0.19  -0.15  -0.01    -0.02   0.02  -0.12
    28   1    -0.03   0.01   0.02    -0.29   0.04   0.01    -0.02  -0.00   0.02
    29   6     0.05   0.01   0.02    -0.07   0.03   0.01     0.06   0.00   0.01
    30   1     0.05   0.01   0.08    -0.05   0.14   0.04     0.06   0.01   0.07
    31   6    -0.03  -0.00   0.01    -0.11   0.00  -0.00     0.18  -0.00  -0.01
    32   1    -0.16  -0.00   0.02    -0.14   0.01  -0.00     0.28  -0.00  -0.01
    33   6    -0.04  -0.01   0.01    -0.05  -0.00  -0.00     0.11   0.00  -0.00
    34   6    -0.22  -0.01   0.02     0.05  -0.00  -0.01     0.11   0.00   0.00
    35   1    -0.36  -0.02   0.03     0.03  -0.00  -0.02     0.23   0.01   0.00
    36   6    -0.19  -0.01   0.02     0.17  -0.00  -0.02    -0.07   0.00   0.01
    37   1    -0.29  -0.02   0.03     0.26  -0.00  -0.03    -0.12   0.00   0.02
    38   6     0.00  -0.00   0.01     0.14  -0.00  -0.01    -0.17  -0.00   0.01
    39   1     0.07  -0.00   0.01     0.22  -0.00  -0.01    -0.31  -0.01   0.02
                      4                      5                      6
                      A                      A                      B
 Frequencies --     97.7355               124.9903               151.4999
 Red. masses --      3.4163                 5.2791                 4.4281
 Frc consts  --      0.0192                 0.0486                 0.0599
 IR Inten    --      0.2293                 0.0203                 1.2556
 RamAct Fr= 1--      1.8429                24.6352                 1.2538
  Dep-P Fr= 1--      0.7401                 0.3437                 0.7500
  Dep-U Fr= 1--      0.8507                 0.5116                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.2207                 0.0000
 Beta2  Fr= 1--      0.2613                 2.1005                 0.1791
 AlphaG Fr= 1--      0.1450               -58.6850                -0.0000
 Gamma2 Fr= 1--     12.2212              -343.8476                -1.5165
 Delta2 Fr= 1--     -0.4694                 1.0740                 1.3340
 Raman1 Fr= 1--       7.372                 98.541                  5.015
 ROA1   Fr= 1--    1158.219             -32975.003               -102.897
 CID1   Fr= 1--     157.115               -334.633                -20.517
 Raman2 Fr= 1--       3.135                 25.206                  2.149
 ROA2   Fr= 1--     297.065              -8260.935                -47.068
 CID2   Fr= 1--      94.744               -327.737                -21.898
 Raman3 Fr= 1--       6.271                 50.412                  4.299
 ROA3   Fr= 1--    1158.219             -32975.003               -102.897
 CID3   Fr= 1--     184.697               -654.111                -23.936
 RC180  Fr= 1--       0.701                  0.023                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.02     0.00   0.00   0.07     0.02   0.04   0.00
     2   7     0.03   0.02   0.00    -0.00   0.11   0.03     0.13   0.01   0.02
     3   7     0.00  -0.01   0.01     0.01  -0.02   0.03    -0.08   0.06  -0.01
     4   7    -0.00   0.01   0.01    -0.01   0.02   0.03    -0.08   0.06   0.01
     5   7    -0.03  -0.02   0.00     0.00  -0.11   0.03     0.13   0.01  -0.02
     6   6     0.15   0.05   0.01    -0.04   0.21  -0.00    -0.04  -0.04   0.02
     7   1     0.29   0.07   0.03    -0.06   0.27   0.05    -0.08  -0.07  -0.01
     8   6     0.07   0.05  -0.02    -0.03   0.23  -0.10    -0.12  -0.05   0.06
     9   1     0.14   0.07  -0.02    -0.05   0.29  -0.15    -0.25  -0.08   0.07
    10   6    -0.10   0.02  -0.04     0.02   0.13  -0.14     0.00  -0.00   0.08
    11   1    -0.19   0.01  -0.06     0.03   0.11  -0.22    -0.03   0.01   0.11
    12   6    -0.12   0.01  -0.02     0.03   0.06  -0.05     0.15   0.03   0.05
    13   6    -0.12  -0.01  -0.02     0.03  -0.00  -0.03     0.06   0.06   0.03
    14   1    -0.20  -0.01  -0.03     0.04  -0.04  -0.06     0.09   0.07   0.05
    15   6     0.03  -0.02   0.02    -0.01  -0.00   0.02    -0.11   0.03  -0.02
    16   1     0.03  -0.07   0.07    -0.01   0.02  -0.01    -0.11   0.02  -0.02
    17   6     0.14   0.01   0.00    -0.07  -0.01   0.04    -0.09  -0.06  -0.09
    18   1     0.25  -0.03   0.01    -0.12   0.02   0.04    -0.15  -0.03  -0.12
    19   1     0.16   0.13  -0.03    -0.08  -0.06   0.07    -0.10  -0.13  -0.19
    20   6     0.09  -0.04   0.02    -0.05   0.02   0.03     0.08  -0.13  -0.00
    21   1     0.09  -0.18   0.05    -0.05   0.10   0.01     0.09  -0.13   0.15
    22   1     0.18   0.01   0.00    -0.11  -0.00   0.04     0.20  -0.18  -0.08
    23   6    -0.09   0.04   0.02     0.05  -0.02   0.03     0.08  -0.13   0.00
    24   1    -0.18  -0.01   0.00     0.11   0.00   0.04     0.20  -0.18   0.08
    25   1    -0.09   0.18   0.05     0.05  -0.10   0.01     0.09  -0.13  -0.15
    26   6    -0.14  -0.01   0.00     0.07   0.01   0.04    -0.09  -0.06   0.09
    27   1    -0.16  -0.13  -0.03     0.08   0.06   0.07    -0.10  -0.13   0.19
    28   1    -0.25   0.03   0.01     0.12  -0.02   0.04    -0.15  -0.03   0.12
    29   6    -0.03   0.02   0.02     0.01   0.00   0.02    -0.11   0.03   0.02
    30   1    -0.03   0.07   0.07     0.01  -0.02  -0.01    -0.11   0.02   0.02
    31   6     0.12   0.01  -0.02    -0.03   0.00  -0.03     0.06   0.06  -0.03
    32   1     0.20   0.01  -0.03    -0.04   0.04  -0.06     0.09   0.07  -0.05
    33   6     0.12  -0.01  -0.02    -0.03  -0.06  -0.05     0.15   0.03  -0.05
    34   6     0.10  -0.02  -0.04    -0.02  -0.13  -0.14     0.00  -0.00  -0.08
    35   1     0.19  -0.01  -0.06    -0.03  -0.11  -0.22    -0.03   0.01  -0.11
    36   6    -0.07  -0.05  -0.02     0.03  -0.23  -0.10    -0.12  -0.05  -0.06
    37   1    -0.14  -0.07  -0.02     0.05  -0.29  -0.15    -0.25  -0.08  -0.07
    38   6    -0.15  -0.05   0.01     0.04  -0.21  -0.00    -0.04  -0.04  -0.02
    39   1    -0.29  -0.07   0.03     0.06  -0.27   0.05    -0.08  -0.07   0.01
                      7                      8                      9
                      A                      B                      B
 Frequencies --    153.4444               166.3691               213.9594
 Red. masses --      5.1229                 4.2609                 3.5944
 Frc consts  --      0.0711                 0.0695                 0.0969
 IR Inten    --      0.2152                 0.9646                 0.1998
 RamAct Fr= 1--      4.7154                 0.5904                 0.0030
  Dep-P Fr= 1--      0.6867                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8142                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0052                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6399                 0.0843                 0.0004
 AlphaG Fr= 1--     -1.4603                 0.0000                -0.0000
 Gamma2 Fr= 1--     -7.1661                -0.9059                 1.3513
 Delta2 Fr= 1--     -0.3861                -0.0317                 0.0167
 Raman1 Fr= 1--      18.862                  2.362                  0.012
 ROA1   Fr= 1--    -700.302                -87.980                130.261
 CID1   Fr= 1--     -37.129                -37.256              10789.264
 Raman2 Fr= 1--       7.679                  1.012                  0.005
 ROA2   Fr= 1--    -168.899                -21.488                 32.299
 CID2   Fr= 1--     -21.995                -21.231               6242.214
 Raman3 Fr= 1--      15.358                  2.024                  0.010
 ROA3   Fr= 1--    -700.302                -87.980                130.261
 CID3   Fr= 1--     -45.599                -43.465              12587.475
 RC180  Fr= 1--       0.628                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.01  -0.05  -0.00     0.10   0.01   0.00
     2   7     0.27  -0.00   0.01     0.09  -0.01  -0.01    -0.14  -0.00  -0.01
     3   7     0.12  -0.00   0.00    -0.06  -0.07   0.01     0.10   0.01   0.00
     4   7    -0.12   0.00   0.00    -0.06  -0.07  -0.01     0.10   0.01  -0.00
     5   7    -0.27   0.00   0.01     0.09  -0.01   0.01    -0.14  -0.00   0.01
     6   6     0.15  -0.02   0.00    -0.02   0.04  -0.03    -0.08  -0.00  -0.00
     7   1     0.26  -0.01   0.01    -0.05   0.08   0.00    -0.13  -0.01  -0.00
     8   6    -0.12  -0.03  -0.00    -0.07   0.05  -0.08     0.06   0.00   0.01
     9   1    -0.25  -0.04  -0.01    -0.15   0.08  -0.11     0.13   0.00   0.01
    10   6    -0.15  -0.03  -0.00     0.01   0.00  -0.10     0.06   0.00   0.01
    11   1    -0.34  -0.03  -0.01    -0.00  -0.01  -0.14     0.15   0.01   0.02
    12   6     0.10  -0.01   0.00     0.10  -0.02  -0.04    -0.08  -0.00   0.00
    13   6     0.06  -0.00  -0.00     0.04  -0.06  -0.03    -0.04   0.00  -0.00
    14   1    -0.03  -0.00  -0.01     0.05  -0.09  -0.06    -0.12   0.01  -0.00
    15   6     0.02  -0.01  -0.01    -0.10  -0.05   0.02    -0.04   0.01  -0.03
    16   1     0.01  -0.02  -0.09    -0.10  -0.07  -0.01    -0.05   0.02  -0.13
    17   6    -0.06  -0.01   0.01    -0.08   0.04   0.09    -0.15  -0.03  -0.01
    18   1    -0.11   0.02   0.00    -0.14   0.07   0.23    -0.32   0.05   0.01
    19   1    -0.07  -0.06   0.06    -0.09  -0.03   0.02    -0.18  -0.23  -0.07
    20   6    -0.07   0.03  -0.01     0.08   0.18   0.07     0.08   0.01   0.04
    21   1    -0.07   0.13  -0.06     0.09   0.21   0.20     0.09   0.03   0.24
    22   1    -0.15  -0.00   0.01     0.17   0.23   0.06     0.22  -0.00  -0.02
    23   6     0.07  -0.03  -0.01     0.08   0.18  -0.07     0.08   0.01  -0.04
    24   1     0.15   0.00   0.01     0.17   0.23  -0.06     0.22  -0.00   0.02
    25   1     0.07  -0.13  -0.06     0.09   0.21  -0.20     0.09   0.03  -0.24
    26   6     0.06   0.01   0.01    -0.08   0.04  -0.09    -0.15  -0.03   0.01
    27   1     0.07   0.06   0.06    -0.09  -0.03  -0.02    -0.18  -0.23   0.07
    28   1     0.11  -0.02   0.00    -0.14   0.07  -0.23    -0.32   0.05  -0.01
    29   6    -0.02   0.01  -0.01    -0.10  -0.05  -0.02    -0.04   0.01   0.03
    30   1    -0.01   0.02  -0.09    -0.10  -0.07   0.01    -0.05   0.02   0.13
    31   6    -0.06   0.00  -0.00     0.04  -0.06   0.03    -0.04   0.00   0.00
    32   1     0.03   0.00  -0.01     0.05  -0.09   0.06    -0.12   0.01   0.00
    33   6    -0.10   0.01   0.00     0.10  -0.02   0.04    -0.08  -0.00  -0.00
    34   6     0.15   0.03  -0.00     0.01   0.00   0.10     0.06   0.00  -0.01
    35   1     0.34   0.03  -0.01    -0.00  -0.01   0.14     0.15   0.01  -0.02
    36   6     0.12   0.03  -0.00    -0.07   0.05   0.08     0.06   0.00  -0.01
    37   1     0.25   0.04  -0.01    -0.15   0.08   0.11     0.13   0.00  -0.01
    38   6    -0.15   0.02   0.00    -0.02   0.04   0.03    -0.08  -0.00   0.00
    39   1    -0.26   0.01   0.01    -0.05   0.08  -0.00    -0.13  -0.01   0.00
                     10                     11                     12
                      B                      A                      B
 Frequencies --    254.3723               258.4262               274.7929
 Red. masses --      5.7017                 4.0730                 3.4535
 Frc consts  --      0.2174                 0.1603                 0.1536
 IR Inten    --      3.4473                 2.0117                 0.0815
 RamAct Fr= 1--      7.6150                12.2501                 0.9537
  Dep-P Fr= 1--      0.7500                 0.1691                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2892                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1804                 0.0000
 Beta2  Fr= 1--      1.0879                 0.5905                 0.1362
 AlphaG Fr= 1--      0.0000               -31.0302                -0.0000
 Gamma2 Fr= 1--     41.4719              -256.3065               -43.5783
 Delta2 Fr= 1--      0.2684                 2.2262                -0.6229
 Raman1 Fr= 1--      30.460                 49.000                  3.815
 ROA1   Fr= 1--    3989.890             -24534.180              -4203.449
 CID1   Fr= 1--     130.987               -500.694              -1101.895
 Raman2 Fr= 1--      13.054                  7.086                  1.635
 ROA2   Fr= 1--     993.179              -6169.165              -1040.897
 CID2   Fr= 1--      76.080               -870.649               -636.676
 Raman3 Fr= 1--      26.109                 14.171                  3.270
 ROA3   Fr= 1--    3989.890             -24534.180              -4203.449
 CID3   Fr= 1--     152.819              -1731.243              -1285.544
 RC180  Fr= 1--       0.714                 -0.422                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.01  -0.06  -0.00     0.00  -0.00   0.00     0.11  -0.01  -0.00
     2   7    -0.00  -0.01   0.21    -0.12  -0.02  -0.01    -0.03  -0.00   0.01
     3   7     0.01  -0.03   0.05     0.22  -0.02   0.01    -0.12  -0.01   0.00
     4   7     0.01  -0.03  -0.05    -0.22   0.02   0.01    -0.12  -0.01  -0.00
     5   7    -0.00  -0.01  -0.21     0.12   0.02  -0.01    -0.03  -0.00  -0.01
     6   6    -0.00   0.16   0.19     0.00  -0.02  -0.01    -0.11   0.00   0.00
     7   1     0.01   0.27   0.30     0.05  -0.02  -0.00    -0.21   0.01   0.00
     8   6    -0.01   0.18   0.05     0.07  -0.02  -0.01    -0.01   0.01  -0.00
     9   1    -0.02   0.28  -0.01     0.16  -0.01  -0.00    -0.02   0.01  -0.01
    10   6    -0.02   0.03  -0.00    -0.03  -0.03  -0.02     0.10   0.01   0.00
    11   1    -0.02  -0.00  -0.13    -0.01  -0.02  -0.02     0.19   0.01  -0.00
    12   6    -0.01  -0.06   0.13    -0.13  -0.03  -0.02     0.04  -0.00   0.01
    13   6     0.01  -0.05   0.13     0.05  -0.02  -0.01    -0.11  -0.01  -0.00
    14   1     0.02  -0.01   0.17     0.05  -0.02  -0.01    -0.20  -0.01  -0.01
    15   6     0.02   0.00   0.02     0.09  -0.04   0.00    -0.10  -0.02   0.02
    16   1     0.02   0.02   0.02     0.06  -0.16  -0.09    -0.10  -0.09   0.11
    17   6    -0.01  -0.04   0.00     0.02   0.01   0.06     0.11   0.04  -0.02
    18   1    -0.03  -0.03  -0.04     0.06  -0.01   0.04     0.34  -0.06   0.00
    19   1    -0.01  -0.06   0.01     0.03   0.05   0.19     0.14   0.30  -0.06
    20   6    -0.01  -0.07   0.01    -0.12   0.05  -0.01    -0.03  -0.01  -0.03
    21   1    -0.01  -0.08   0.02    -0.13   0.24  -0.21    -0.04  -0.04  -0.15
    22   1     0.01  -0.06   0.01    -0.37   0.01   0.07    -0.10  -0.02  -0.01
    23   6    -0.01  -0.07  -0.01     0.12  -0.05  -0.01    -0.03  -0.01   0.03
    24   1     0.01  -0.06  -0.01     0.37  -0.01   0.07    -0.10  -0.02   0.01
    25   1    -0.01  -0.08  -0.02     0.13  -0.24  -0.21    -0.04  -0.04   0.15
    26   6    -0.01  -0.04  -0.00    -0.02  -0.01   0.06     0.11   0.04   0.02
    27   1    -0.01  -0.06  -0.01    -0.03  -0.05   0.19     0.14   0.30   0.06
    28   1    -0.03  -0.03   0.04    -0.06   0.01   0.04     0.34  -0.06  -0.00
    29   6     0.02   0.00  -0.02    -0.09   0.04   0.00    -0.10  -0.02  -0.02
    30   1     0.02   0.02  -0.02    -0.06   0.16  -0.09    -0.10  -0.09  -0.11
    31   6     0.01  -0.05  -0.13    -0.05   0.02  -0.01    -0.11  -0.01   0.00
    32   1     0.02  -0.01  -0.17    -0.05   0.02  -0.01    -0.20  -0.01   0.01
    33   6    -0.01  -0.06  -0.13     0.13   0.03  -0.02     0.04  -0.00  -0.01
    34   6    -0.02   0.03   0.00     0.03   0.03  -0.02     0.10   0.01  -0.00
    35   1    -0.02  -0.00   0.13     0.01   0.02  -0.02     0.19   0.01   0.00
    36   6    -0.01   0.18  -0.05    -0.07   0.02  -0.01    -0.01   0.01   0.00
    37   1    -0.02   0.28   0.01    -0.16   0.01  -0.00    -0.02   0.01   0.01
    38   6    -0.00   0.16  -0.19    -0.00   0.02  -0.01    -0.11   0.00  -0.00
    39   1     0.01   0.27  -0.30    -0.05   0.02  -0.00    -0.21   0.01  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    277.5385               332.1465               340.4614
 Red. masses --      5.4608                 3.2960                 2.9470
 Frc consts  --      0.2478                 0.2142                 0.2013
 IR Inten    --      1.6958                 0.4416                 0.3676
 RamAct Fr= 1--      5.0096                60.9013                24.9552
  Dep-P Fr= 1--      0.1428                 0.1214                 0.1021
  Dep-U Fr= 1--      0.2498                 0.2165                 0.1854
 Alpha2 Fr= 1--      0.0789                 1.0115                 0.4346
 Beta2  Fr= 1--      0.2086                 2.1978                 0.7709
 AlphaG Fr= 1--    -35.9653              -148.5752               -91.6696
 Gamma2 Fr= 1--    -14.2203              -499.6869              -173.8559
 Delta2 Fr= 1--      1.3795                 6.3582                 1.1871
 Raman1 Fr= 1--      20.038                243.605                 99.821
 ROA1   Fr= 1--   -1321.005             -47766.484             -16652.179
 CID1   Fr= 1--     -65.924               -196.082               -166.821
 Raman2 Fr= 1--       2.503                 26.373                  9.251
 ROA2   Fr= 1--    -352.323             -12043.352              -4182.038
 CID2   Fr= 1--    -140.745               -456.650               -452.069
 Raman3 Fr= 1--       5.007                 52.747                 18.502
 ROA3   Fr= 1--   -1321.005             -47766.484             -16652.179
 CID3   Fr= 1--    -263.855               -905.585               -900.031
 RC180  Fr= 1--      -0.500                 -0.567                 -0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.08    -0.00   0.00  -0.03    -0.00   0.00  -0.03
     2   7     0.01   0.05  -0.15     0.02   0.09  -0.02    -0.05   0.05  -0.00
     3   7    -0.01   0.04   0.04    -0.05   0.08   0.01     0.12   0.06   0.00
     4   7     0.01  -0.04   0.04     0.05  -0.08   0.01    -0.12  -0.06   0.00
     5   7    -0.01  -0.05  -0.15    -0.02  -0.09  -0.02     0.05  -0.05  -0.00
     6   6     0.01  -0.05  -0.13     0.00   0.03  -0.01     0.02   0.03   0.01
     7   1     0.01  -0.10  -0.19    -0.00  -0.02  -0.05     0.07   0.01  -0.00
     8   6     0.00  -0.06  -0.04    -0.01   0.02   0.08     0.02   0.02   0.06
     9   1     0.00  -0.13   0.01    -0.02  -0.04   0.11     0.05  -0.00   0.07
    10   6     0.00   0.04   0.00    -0.00   0.09   0.10    -0.05   0.06   0.06
    11   1    -0.00   0.06   0.08    -0.01   0.11   0.18    -0.06   0.07   0.10
    12   6     0.01   0.10  -0.07     0.01   0.13   0.02    -0.06   0.07   0.02
    13   6    -0.00   0.07  -0.06    -0.02   0.10   0.01     0.08   0.06   0.02
    14   1    -0.00   0.02  -0.12    -0.01   0.08  -0.01     0.13   0.06   0.03
    15   6     0.00   0.00   0.12     0.01   0.00   0.02     0.00   0.01  -0.02
    16   1     0.00  -0.00   0.10     0.01  -0.02   0.09    -0.00   0.02  -0.10
    17   6    -0.03   0.01   0.18     0.08   0.00  -0.02    -0.08  -0.06  -0.06
    18   1    -0.05   0.02   0.19     0.20  -0.05  -0.03    -0.26   0.02  -0.06
    19   1    -0.03  -0.02   0.20     0.11   0.14   0.03    -0.11  -0.26  -0.13
    20   6     0.01  -0.00   0.24    -0.08   0.03  -0.10     0.09  -0.04  -0.02
    21   1     0.01  -0.02   0.30    -0.09   0.17  -0.33     0.10  -0.18   0.19
    22   1     0.07  -0.03   0.19    -0.32   0.03  -0.01     0.31   0.01  -0.08
    23   6    -0.01   0.00   0.24     0.08  -0.03  -0.10    -0.09   0.04  -0.02
    24   1    -0.07   0.03   0.19     0.32  -0.03  -0.01    -0.31  -0.01  -0.08
    25   1    -0.01   0.02   0.30     0.09  -0.17  -0.33    -0.10   0.18   0.19
    26   6     0.03  -0.01   0.18    -0.08  -0.00  -0.02     0.08   0.06  -0.06
    27   1     0.03   0.02   0.20    -0.11  -0.14   0.03     0.11   0.26  -0.13
    28   1     0.05  -0.02   0.19    -0.20   0.05  -0.03     0.26  -0.02  -0.06
    29   6    -0.00  -0.00   0.12    -0.01  -0.00   0.02    -0.00  -0.01  -0.02
    30   1    -0.00   0.00   0.10    -0.01   0.02   0.09     0.00  -0.02  -0.10
    31   6     0.00  -0.07  -0.06     0.02  -0.10   0.01    -0.08  -0.06   0.02
    32   1     0.00  -0.02  -0.12     0.01  -0.08  -0.01    -0.13  -0.06   0.03
    33   6    -0.01  -0.10  -0.07    -0.01  -0.13   0.02     0.06  -0.07   0.02
    34   6    -0.00  -0.04   0.00     0.00  -0.09   0.10     0.05  -0.06   0.06
    35   1     0.00  -0.06   0.08     0.01  -0.11   0.18     0.06  -0.07   0.10
    36   6    -0.00   0.06  -0.04     0.01  -0.02   0.08    -0.02  -0.02   0.06
    37   1    -0.00   0.13   0.01     0.02   0.04   0.11    -0.05   0.00   0.07
    38   6    -0.01   0.05  -0.13    -0.00  -0.03  -0.01    -0.02  -0.03   0.01
    39   1    -0.01   0.10  -0.19     0.00   0.02  -0.05    -0.07  -0.01  -0.00
                     16                     17                     18
                      B                      A                      A
 Frequencies --    362.6339               387.4697               400.1794
 Red. masses --      4.6256                 3.5015                 5.8685
 Frc consts  --      0.3584                 0.3097                 0.5537
 IR Inten    --      0.1400                 1.9704                 2.6023
 RamAct Fr= 1--     16.8949                 2.3091                12.5389
  Dep-P Fr= 1--      0.7500                 0.5873                 0.7434
  Dep-U Fr= 1--      0.8571                 0.7400                 0.8528
 Alpha2 Fr= 1--      0.0000                 0.0070                 0.0014
 Beta2  Fr= 1--      2.4136                 0.2848                 1.7822
 AlphaG Fr= 1--     -0.0000                -1.1028                 2.1199
 Gamma2 Fr= 1--     13.3275              -188.4671              -541.6629
 Delta2 Fr= 1--     -0.1437                 1.4791                -4.1947
 Raman1 Fr= 1--      67.579                  9.236                 50.156
 ROA1   Fr= 1--    1274.846             -18045.515             -52133.863
 CID1   Fr= 1--      18.864              -1953.740              -1039.440
 Raman2 Fr= 1--      28.963                  3.418                 21.386
 ROA2   Fr= 1--     321.010              -4535.044             -12966.351
 CID2   Fr= 1--      11.084              -1326.954               -606.295
 Raman3 Fr= 1--      57.925                  6.835                 42.772
 ROA3   Fr= 1--    1274.846             -18045.515             -52133.863
 CID3   Fr= 1--      22.008              -2640.058              -1218.867
 RC180  Fr= 1--       0.714                  0.480                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.08   0.00    -0.00   0.00   0.10    -0.00  -0.00   0.20
     2   7     0.00   0.07  -0.01     0.05   0.03  -0.05    -0.05   0.02  -0.10
     3   7    -0.05  -0.05   0.05     0.13  -0.00   0.02    -0.12  -0.02   0.02
     4   7    -0.05  -0.05  -0.05    -0.13   0.00   0.02     0.12   0.02   0.02
     5   7     0.00   0.07   0.01    -0.05  -0.03  -0.05     0.05  -0.02  -0.10
     6   6    -0.02  -0.00   0.01    -0.07  -0.03  -0.05     0.06  -0.07  -0.10
     7   1    -0.03  -0.05  -0.04    -0.18  -0.08  -0.09     0.15  -0.12  -0.15
     8   6    -0.01  -0.01   0.08    -0.01  -0.04   0.00     0.02  -0.09  -0.03
     9   1    -0.01  -0.05   0.10    -0.01  -0.08   0.02     0.03  -0.14   0.00
    10   6     0.01   0.06   0.10     0.08   0.01   0.02    -0.07  -0.01  -0.01
    11   1     0.02   0.08   0.18     0.13   0.03   0.08    -0.11   0.01   0.07
    12   6     0.01   0.09   0.02     0.04   0.05  -0.03    -0.04   0.05  -0.08
    13   6    -0.03  -0.01   0.00    -0.18   0.01  -0.05     0.15   0.01  -0.06
    14   1    -0.03  -0.07  -0.05    -0.54  -0.02  -0.11     0.47  -0.04  -0.10
    15   6     0.07  -0.15   0.09     0.01  -0.01  -0.01    -0.01  -0.02   0.02
    16   1     0.07  -0.12   0.16     0.01  -0.03  -0.06    -0.00   0.01   0.08
    17   6     0.02  -0.14   0.18    -0.02  -0.03  -0.03     0.01  -0.06  -0.03
    18   1    -0.05  -0.11   0.21    -0.08  -0.01  -0.03    -0.04  -0.04  -0.03
    19   1     0.01  -0.22   0.27    -0.03  -0.10  -0.05     0.00  -0.10  -0.05
    20   6    -0.03  -0.01   0.10     0.02  -0.01  -0.04     0.01  -0.01  -0.07
    21   1    -0.03  -0.02   0.09     0.02  -0.04  -0.00     0.00  -0.01  -0.10
    22   1    -0.03   0.12   0.18     0.07   0.01  -0.04    -0.02   0.03  -0.04
    23   6    -0.03  -0.01  -0.10    -0.02   0.01  -0.04    -0.01   0.01  -0.07
    24   1    -0.03   0.12  -0.18    -0.07  -0.01  -0.04     0.02  -0.03  -0.04
    25   1    -0.03  -0.02  -0.09    -0.02   0.04  -0.00    -0.00   0.01  -0.10
    26   6     0.02  -0.14  -0.18     0.02   0.03  -0.03    -0.01   0.06  -0.03
    27   1     0.01  -0.22  -0.27     0.03   0.10  -0.05    -0.00   0.10  -0.05
    28   1    -0.05  -0.11  -0.21     0.08   0.01  -0.03     0.04   0.04  -0.03
    29   6     0.07  -0.15  -0.09    -0.01   0.01  -0.01     0.01   0.02   0.02
    30   1     0.07  -0.12  -0.16    -0.01   0.03  -0.06     0.00  -0.01   0.08
    31   6    -0.03  -0.01  -0.00     0.18  -0.01  -0.05    -0.15  -0.01  -0.06
    32   1    -0.03  -0.07   0.05     0.54   0.02  -0.11    -0.47   0.04  -0.10
    33   6     0.01   0.09  -0.02    -0.04  -0.05  -0.03     0.04  -0.05  -0.08
    34   6     0.01   0.06  -0.10    -0.08  -0.01   0.02     0.07   0.01  -0.01
    35   1     0.02   0.08  -0.18    -0.13  -0.03   0.08     0.11  -0.01   0.07
    36   6    -0.01  -0.01  -0.08     0.01   0.04   0.00    -0.02   0.09  -0.03
    37   1    -0.01  -0.05  -0.10     0.01   0.08   0.02    -0.03   0.14   0.00
    38   6    -0.02  -0.00  -0.01     0.07   0.03  -0.05    -0.06   0.07  -0.10
    39   1    -0.03  -0.05   0.04     0.18   0.08  -0.09    -0.15   0.12  -0.15
                     19                     20                     21
                      B                      B                      B
 Frequencies --    403.7349               427.0311               444.7521
 Red. masses --      3.0545                 3.9450                 6.2776
 Frc consts  --      0.2933                 0.4239                 0.7316
 IR Inten    --      6.1772                20.0852                 9.7146
 RamAct Fr= 1--      0.8763                 0.7996                13.1268
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1252                 0.1142                 1.8753
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -9.3526               -13.3198               137.1366
 Delta2 Fr= 1--     -0.3568                 0.3388                 2.7701
 Raman1 Fr= 1--       3.505                  3.198                 52.507
 ROA1   Fr= 1--    -909.269              -1267.855              13253.758
 CID1   Fr= 1--    -259.412               -396.414                252.418
 Raman2 Fr= 1--       1.502                  1.371                 22.503
 ROA2   Fr= 1--    -221.608               -322.385               3269.119
 CID2   Fr= 1--    -147.523               -235.196                145.274
 Raman3 Fr= 1--       3.004                  2.741                 45.006
 ROA3   Fr= 1--    -909.269              -1267.855              13253.758
 CID3   Fr= 1--    -302.647               -462.483                294.487
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.04   0.00    -0.07   0.07   0.00     0.03   0.20   0.00
     2   7    -0.08   0.01   0.01     0.07  -0.00   0.04    -0.02  -0.10   0.08
     3   7     0.02  -0.02  -0.00     0.21  -0.01  -0.01    -0.12   0.02  -0.11
     4   7     0.02  -0.02   0.00     0.21  -0.01   0.01    -0.12   0.02   0.11
     5   7    -0.08   0.01  -0.01     0.07  -0.00  -0.04    -0.02  -0.10  -0.08
     6   6     0.05   0.00   0.02    -0.02  -0.00   0.04    -0.01  -0.03   0.07
     7   1     0.13  -0.00   0.01    -0.08   0.00   0.04    -0.01   0.03   0.13
     8   6     0.02  -0.00   0.02    -0.02  -0.01   0.02     0.01  -0.02  -0.06
     9   1     0.05  -0.00   0.03    -0.03   0.01   0.01     0.00   0.07  -0.11
    10   6    -0.08   0.00   0.02     0.04  -0.02   0.01     0.01  -0.13  -0.10
    11   1    -0.12   0.00   0.03     0.05  -0.02  -0.00     0.03  -0.16  -0.21
    12   6    -0.07   0.01   0.00     0.06  -0.02   0.01    -0.01  -0.17   0.01
    13   6     0.17  -0.01   0.01    -0.11  -0.03  -0.02     0.01  -0.02  -0.01
    14   1     0.38  -0.02   0.02    -0.48  -0.01  -0.03     0.14   0.08   0.12
    15   6    -0.16  -0.09  -0.01    -0.09  -0.09  -0.05     0.07  -0.04  -0.03
    16   1    -0.19  -0.25  -0.05    -0.11  -0.24  -0.15     0.09   0.04   0.05
    17   6     0.02   0.01  -0.00     0.01   0.00  -0.01    -0.00  -0.06  -0.01
    18   1     0.23  -0.08   0.08     0.15  -0.06   0.08    -0.19   0.03   0.07
    19   1     0.05   0.24  -0.09     0.03   0.15  -0.08    -0.03  -0.25   0.03
    20   6     0.01   0.01  -0.00     0.02   0.02  -0.02     0.02   0.08  -0.05
    21   1     0.01  -0.01  -0.00     0.01   0.03  -0.03     0.01   0.17  -0.18
    22   1     0.02   0.01  -0.01    -0.00   0.01  -0.02    -0.15   0.04  -0.01
    23   6     0.01   0.01   0.00     0.02   0.02   0.02     0.02   0.08   0.05
    24   1     0.02   0.01   0.01    -0.00   0.01   0.02    -0.15   0.04   0.01
    25   1     0.01  -0.01   0.00     0.01   0.03   0.03     0.01   0.17   0.18
    26   6     0.02   0.01   0.00     0.01   0.00   0.01    -0.00  -0.06   0.01
    27   1     0.05   0.24   0.09     0.03   0.15   0.08    -0.03  -0.25  -0.03
    28   1     0.23  -0.08  -0.08     0.15  -0.06  -0.08    -0.19   0.03  -0.07
    29   6    -0.16  -0.09   0.01    -0.09  -0.09   0.05     0.07  -0.04   0.03
    30   1    -0.19  -0.25   0.05    -0.11  -0.24   0.15     0.09   0.04  -0.05
    31   6     0.17  -0.01  -0.01    -0.11  -0.03   0.02     0.01  -0.02   0.01
    32   1     0.38  -0.02  -0.02    -0.48  -0.01   0.03     0.14   0.08  -0.12
    33   6    -0.07   0.01  -0.00     0.06  -0.02  -0.01    -0.01  -0.17  -0.01
    34   6    -0.08   0.00  -0.02     0.04  -0.02  -0.01     0.01  -0.13   0.10
    35   1    -0.12   0.00  -0.03     0.05  -0.02   0.00     0.03  -0.16   0.21
    36   6     0.02  -0.00  -0.02    -0.02  -0.01  -0.02     0.01  -0.02   0.06
    37   1     0.05  -0.00  -0.03    -0.03   0.01  -0.01     0.00   0.07   0.11
    38   6     0.05   0.00  -0.02    -0.02  -0.00  -0.04    -0.01  -0.03  -0.07
    39   1     0.13  -0.00  -0.01    -0.08   0.00  -0.04    -0.01   0.03  -0.13
                     22                     23                     24
                      A                      B                      A
 Frequencies --    470.5519               489.8625               573.8950
 Red. masses --      3.0700                 2.3348                 5.3475
 Frc consts  --      0.4005                 0.3301                 1.0377
 IR Inten    --      1.1387                 4.0366                 1.3244
 RamAct Fr= 1--     22.8892                 3.2085                19.1935
  Dep-P Fr= 1--      0.1270                 0.7500                 0.3715
  Dep-U Fr= 1--      0.2254                 0.8571                 0.5418
 Alpha2 Fr= 1--      0.3749                 0.0000                 0.1569
 Beta2  Fr= 1--      0.8597                 0.4584                 1.7331
 AlphaG Fr= 1--    -68.5000                -0.0000              -124.6383
 Gamma2 Fr= 1--   -180.5681                16.8445              -762.4368
 Delta2 Fr= 1--      0.8958                -0.5357                 1.4993
 Raman1 Fr= 1--      91.557                 12.834                 76.774
 ROA1   Fr= 1--  -17305.870               1599.925             -73145.954
 CID1   Fr= 1--    -189.018                124.662               -952.742
 Raman2 Fr= 1--      10.316                  5.500                 20.797
 ROA2   Fr= 1--   -4340.800                408.553             -18310.477
 CID2   Fr= 1--    -420.765                 74.278               -880.453
 Raman3 Fr= 1--      20.633                 11.001                 41.593
 ROA3   Fr= 1--  -17305.870               1599.925             -73145.954
 CID3   Fr= 1--    -838.752                145.439              -1758.599
 RC180  Fr= 1--      -0.549                  0.714                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.04    -0.00   0.04  -0.00     0.00   0.00   0.06
     2   7    -0.01   0.03  -0.01     0.00  -0.04   0.00     0.00  -0.08   0.01
     3   7     0.03  -0.01  -0.03     0.01   0.02   0.03     0.03   0.26  -0.05
     4   7    -0.03   0.01  -0.03     0.01   0.02  -0.03    -0.03  -0.26  -0.05
     5   7     0.01  -0.03  -0.01     0.00  -0.04  -0.00    -0.00   0.08   0.01
     6   6     0.00   0.00  -0.00     0.00  -0.02  -0.01    -0.01  -0.01   0.01
     7   1     0.02  -0.02  -0.03    -0.00   0.01   0.01    -0.02   0.05   0.06
     8   6     0.00  -0.01   0.03     0.00  -0.01  -0.05     0.01  -0.00  -0.08
     9   1     0.01  -0.03   0.04     0.00   0.01  -0.07     0.02   0.05  -0.11
    10   6    -0.01   0.02   0.04     0.00  -0.04  -0.06     0.00  -0.07  -0.10
    11   1    -0.02   0.03   0.08     0.01  -0.06  -0.11     0.01  -0.11  -0.22
    12   6    -0.01   0.04  -0.01     0.00  -0.05  -0.00    -0.00  -0.08   0.02
    13   6     0.02  -0.00  -0.02     0.00   0.02   0.01    -0.00   0.25   0.01
    14   1     0.02  -0.01  -0.03    -0.01   0.03   0.03    -0.06   0.41   0.20
    15   6    -0.07   0.07  -0.11    -0.01   0.06   0.04    -0.03   0.07   0.05
    16   1    -0.06   0.15  -0.20    -0.01   0.06   0.03    -0.02   0.09   0.05
    17   6    -0.04   0.22  -0.05    -0.00   0.06   0.07     0.00   0.02  -0.01
    18   1     0.21   0.11  -0.07     0.18  -0.03  -0.05     0.06  -0.00  -0.01
    19   1    -0.00   0.46  -0.08     0.03   0.25   0.12     0.01   0.09  -0.03
    20   6    -0.02   0.02   0.08    -0.05  -0.09   0.13    -0.01   0.00   0.01
    21   1    -0.01   0.02   0.18    -0.03  -0.27   0.38    -0.01   0.01   0.00
    22   1     0.07  -0.11  -0.04     0.28   0.02   0.07    -0.02  -0.02   0.00
    23   6     0.02  -0.02   0.08    -0.05  -0.09  -0.13     0.01  -0.00   0.01
    24   1    -0.07   0.11  -0.04     0.28   0.02  -0.07     0.02   0.02   0.00
    25   1     0.01  -0.02   0.18    -0.03  -0.27  -0.38     0.01  -0.01   0.00
    26   6     0.04  -0.22  -0.05    -0.00   0.06  -0.07    -0.00  -0.02  -0.01
    27   1     0.00  -0.46  -0.08     0.03   0.25  -0.12    -0.01  -0.09  -0.03
    28   1    -0.21  -0.11  -0.07     0.18  -0.03   0.05    -0.06   0.00  -0.01
    29   6     0.07  -0.07  -0.11    -0.01   0.06  -0.04     0.03  -0.07   0.05
    30   1     0.06  -0.15  -0.20    -0.01   0.06  -0.03     0.02  -0.09   0.05
    31   6    -0.02   0.00  -0.02     0.00   0.02  -0.01     0.00  -0.25   0.01
    32   1    -0.02   0.01  -0.03    -0.01   0.03  -0.03     0.06  -0.41   0.20
    33   6     0.01  -0.04  -0.01     0.00  -0.05   0.00     0.00   0.08   0.02
    34   6     0.01  -0.02   0.04     0.00  -0.04   0.06    -0.00   0.07  -0.10
    35   1     0.02  -0.03   0.08     0.01  -0.06   0.11    -0.01   0.11  -0.22
    36   6    -0.00   0.01   0.03     0.00  -0.01   0.05    -0.01   0.00  -0.08
    37   1    -0.01   0.03   0.04     0.00   0.01   0.07    -0.02  -0.05  -0.11
    38   6    -0.00  -0.00  -0.00     0.00  -0.02   0.01     0.01   0.01   0.01
    39   1    -0.02   0.02  -0.03    -0.00   0.01  -0.01     0.02  -0.05   0.06
                     25                     26                     27
                      A                      B                      B
 Frequencies --    608.6311               612.0366               615.4482
 Red. masses --      2.8298                 4.4663                 3.1206
 Frc consts  --      0.6176                 0.9857                 0.6964
 IR Inten    --      0.0001                 3.7047                13.1535
 RamAct Fr= 1--      0.5167                 1.6632                 0.5263
  Dep-P Fr= 1--      0.1504                 0.7500                 0.7500
  Dep-U Fr= 1--      0.2615                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0080                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0225                 0.2376                 0.0752
 AlphaG Fr= 1--     -0.6148                 0.0000                -0.0000
 Gamma2 Fr= 1--     -2.2312                18.6320                -6.9271
 Delta2 Fr= 1--     -0.0958                -0.3678                 0.2600
 Raman1 Fr= 1--       2.067                  6.653                  2.105
 ROA1   Fr= 1--    -217.259               1776.902               -656.683
 CID1   Fr= 1--    -105.128                267.094               -311.950
 Raman2 Fr= 1--       0.270                  2.851                  0.902
 ROA2   Fr= 1--     -52.781                450.110               -168.331
 CID2   Fr= 1--    -195.321                157.869               -186.582
 Raman3 Fr= 1--       0.540                  5.702                  1.804
 ROA3   Fr= 1--    -217.259               1776.902               -656.683
 CID3   Fr= 1--    -401.989                311.610               -363.942
 RC180  Fr= 1--      -0.477                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00    -0.00  -0.08   0.00    -0.00   0.02   0.00
     2   7     0.06   0.00   0.00     0.02  -0.05   0.00     0.06   0.01   0.00
     3   7    -0.01  -0.01   0.00     0.03   0.20  -0.06    -0.02  -0.05   0.02
     4   7     0.01   0.01   0.00     0.03   0.20   0.06    -0.02  -0.05  -0.02
     5   7    -0.06  -0.00   0.00     0.02  -0.05  -0.00     0.06   0.01  -0.00
     6   6    -0.12  -0.01  -0.01    -0.04   0.00  -0.00    -0.13  -0.01  -0.01
     7   1    -0.47  -0.02  -0.03    -0.15   0.03   0.02    -0.44  -0.03  -0.03
     8   6     0.19   0.01   0.01     0.07   0.01  -0.02     0.19   0.01   0.02
     9   1     0.22   0.01   0.01     0.09   0.03  -0.03     0.24   0.01   0.02
    10   6    -0.15  -0.01  -0.01    -0.05  -0.03  -0.04    -0.15  -0.00  -0.00
    11   1    -0.38  -0.02  -0.02    -0.13  -0.05  -0.10    -0.37  -0.01   0.00
    12   6     0.06   0.00   0.00     0.03  -0.02   0.01     0.07   0.01   0.00
    13   6     0.02  -0.00   0.00     0.01   0.21  -0.01     0.02  -0.05   0.00
    14   1    -0.03  -0.01  -0.01    -0.08   0.34   0.13    -0.03  -0.09  -0.04
    15   6    -0.00  -0.00   0.00    -0.06  -0.06   0.02     0.01   0.02  -0.00
    16   1    -0.00   0.00   0.01    -0.07  -0.19   0.08     0.02   0.05  -0.01
    17   6     0.00  -0.00  -0.00     0.04  -0.11   0.08    -0.01   0.03  -0.02
    18   1     0.00  -0.00  -0.00     0.01  -0.10   0.16    -0.01   0.03  -0.04
    19   1     0.00   0.00  -0.00     0.03  -0.13   0.07    -0.01   0.03  -0.02
    20   6     0.00  -0.00  -0.00     0.01   0.01   0.03    -0.00  -0.00  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.08  -0.10     0.00  -0.02   0.02
    22   1    -0.00   0.00  -0.00    -0.14   0.08   0.13     0.03  -0.02  -0.03
    23   6    -0.00   0.00  -0.00     0.01   0.01  -0.03    -0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.00    -0.14   0.08  -0.13     0.03  -0.02   0.03
    25   1    -0.00   0.00  -0.00    -0.00   0.08   0.10     0.00  -0.02  -0.02
    26   6    -0.00   0.00  -0.00     0.04  -0.11  -0.08    -0.01   0.03   0.02
    27   1    -0.00  -0.00  -0.00     0.03  -0.13  -0.07    -0.01   0.03   0.02
    28   1    -0.00   0.00  -0.00     0.01  -0.10  -0.16    -0.01   0.03   0.04
    29   6     0.00   0.00   0.00    -0.06  -0.06  -0.02     0.01   0.02   0.00
    30   1     0.00  -0.00   0.01    -0.07  -0.19  -0.08     0.02   0.05   0.01
    31   6    -0.02   0.00   0.00     0.01   0.21   0.01     0.02  -0.05  -0.00
    32   1     0.03   0.01  -0.01    -0.08   0.34  -0.13    -0.03  -0.09   0.04
    33   6    -0.06  -0.00   0.00     0.03  -0.02  -0.01     0.07   0.01  -0.00
    34   6     0.15   0.01  -0.01    -0.05  -0.03   0.04    -0.15  -0.00   0.00
    35   1     0.38   0.02  -0.02    -0.13  -0.05   0.10    -0.37  -0.01  -0.00
    36   6    -0.19  -0.01   0.01     0.07   0.01   0.02     0.19   0.01  -0.02
    37   1    -0.22  -0.01   0.01     0.09   0.03   0.03     0.24   0.01  -0.02
    38   6     0.12   0.01  -0.01    -0.04   0.00   0.00    -0.13  -0.01   0.01
    39   1     0.47   0.02  -0.03    -0.15   0.03  -0.02    -0.44  -0.03   0.03
                     28                     29                     30
                      B                      A                      B
 Frequencies --    661.8961               662.6128               696.8617
 Red. masses --      3.5929                 5.3363                 3.7105
 Frc consts  --      0.9274                 1.3804                 1.0616
 IR Inten    --     12.4984                 0.0009                13.5540
 RamAct Fr= 1--      0.4829                96.6847                 0.4150
  Dep-P Fr= 1--      0.7500                 0.2862                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4450                 0.8571
 Alpha2 Fr= 1--      0.0000                 1.0331                 0.0000
 Beta2  Fr= 1--      0.0690                 7.1709                 0.0593
 AlphaG Fr= 1--     -0.0000              -447.4202                 0.0000
 Gamma2 Fr= 1--     -2.0950             -2913.8274                 0.3342
 Delta2 Fr= 1--      3.0828                 8.3881                -0.8611
 Raman1 Fr= 1--       1.931                386.739                  1.660
 ROA1   Fr= 1--    -102.471            -279459.016                  4.532
 CID1   Fr= 1--     -53.054               -722.604                  2.730
 Raman2 Fr= 1--       0.828                 86.051                  0.711
 ROA2   Fr= 1--     -74.943             -69998.963                 14.911
 CID2   Fr= 1--     -90.538               -813.462                 20.961
 Raman3 Fr= 1--       1.656                172.101                  1.423
 ROA3   Fr= 1--    -102.471            -279459.016                  4.532
 CID3   Fr= 1--     -61.897              -1623.805                  3.185
 RC180  Fr= 1--       0.714                 -0.110                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.04  -0.00     0.00  -0.00  -0.04     0.00  -0.00   0.00
     2   7    -0.03  -0.03  -0.04    -0.04  -0.03  -0.05    -0.21  -0.01  -0.00
     3   7     0.04  -0.02   0.20     0.06  -0.04   0.24    -0.01  -0.00  -0.03
     4   7     0.04  -0.02  -0.20    -0.06   0.04   0.24    -0.01  -0.00   0.03
     5   7    -0.03  -0.03   0.04     0.04   0.03  -0.05    -0.21  -0.01   0.00
     6   6     0.02  -0.03  -0.06     0.02  -0.03  -0.08     0.10   0.01   0.02
     7   1     0.04  -0.01  -0.04     0.07  -0.01  -0.06     0.16   0.01   0.02
     8   6     0.00  -0.02  -0.08     0.01  -0.02  -0.09     0.01   0.00   0.01
     9   1    -0.02  -0.04  -0.08    -0.01  -0.05  -0.08    -0.33  -0.01  -0.01
    10   6    -0.01   0.01  -0.06    -0.01   0.03  -0.06    -0.03  -0.01   0.01
    11   1    -0.04  -0.01  -0.12    -0.04   0.01  -0.13    -0.45  -0.02  -0.01
    12   6     0.03  -0.00   0.04     0.02   0.00   0.05     0.24   0.01   0.00
    13   6     0.01  -0.00   0.12     0.02  -0.03   0.15    -0.03  -0.00  -0.03
    14   1    -0.08  -0.05   0.06    -0.10  -0.11   0.07    -0.20  -0.00  -0.04
    15   6    -0.07   0.07   0.12    -0.14   0.06   0.14     0.02  -0.00  -0.01
    16   1    -0.08   0.00   0.15    -0.12   0.22   0.07     0.03   0.03  -0.00
    17   6     0.02  -0.03   0.02    -0.03   0.04  -0.05     0.00   0.00  -0.00
    18   1    -0.15   0.05  -0.04     0.17  -0.06  -0.06     0.01   0.00  -0.00
    19   1    -0.01  -0.18  -0.11    -0.01   0.27  -0.24     0.00   0.01   0.02
    20   6     0.05  -0.04  -0.04     0.02  -0.01  -0.12    -0.01   0.01   0.00
    21   1     0.03   0.16  -0.34     0.02  -0.03  -0.09    -0.01  -0.02   0.05
    22   1    -0.31  -0.08   0.09     0.05   0.05  -0.10     0.04   0.01  -0.01
    23   6     0.05  -0.04   0.04    -0.02   0.01  -0.12    -0.01   0.01  -0.00
    24   1    -0.31  -0.08  -0.09    -0.05  -0.05  -0.10     0.04   0.01   0.01
    25   1     0.03   0.16   0.34    -0.02   0.03  -0.09    -0.01  -0.02  -0.05
    26   6     0.02  -0.03  -0.02     0.03  -0.04  -0.05     0.00   0.00   0.00
    27   1    -0.01  -0.18   0.11     0.01  -0.27  -0.24     0.00   0.01  -0.02
    28   1    -0.15   0.05   0.04    -0.17   0.06  -0.06     0.01   0.00   0.00
    29   6    -0.07   0.07  -0.12     0.14  -0.06   0.14     0.02  -0.00   0.01
    30   1    -0.08   0.00  -0.15     0.12  -0.22   0.07     0.03   0.03   0.00
    31   6     0.01  -0.00  -0.12    -0.02   0.03   0.15    -0.03  -0.00   0.03
    32   1    -0.08  -0.05  -0.06     0.10   0.11   0.07    -0.20  -0.00   0.04
    33   6     0.03  -0.00  -0.04    -0.02  -0.00   0.05     0.24   0.01  -0.00
    34   6    -0.01   0.01   0.06     0.01  -0.03  -0.06    -0.03  -0.01  -0.01
    35   1    -0.04  -0.01   0.12     0.04  -0.01  -0.13    -0.45  -0.02   0.01
    36   6     0.00  -0.02   0.08    -0.01   0.02  -0.09     0.01   0.00  -0.01
    37   1    -0.02  -0.04   0.08     0.01   0.05  -0.08    -0.33  -0.01   0.01
    38   6     0.02  -0.03   0.06    -0.02   0.03  -0.08     0.10   0.01  -0.02
    39   1     0.04  -0.01   0.04    -0.07   0.01  -0.06     0.16   0.01  -0.02
                     31                     32                     33
                      A                      A                      B
 Frequencies --    697.6312               738.1509               741.6840
 Red. masses --      3.7056                 1.3191                 1.3341
 Frc consts  --      1.0626                 0.4235                 0.4324
 IR Inten    --      0.1141                 0.5979               111.5325
 RamAct Fr= 1--     11.2496                12.4835                14.2228
  Dep-P Fr= 1--      0.7399                 0.7368                 0.7500
  Dep-U Fr= 1--      0.8505                 0.8485                 0.8571
 Alpha2 Fr= 1--      0.0019                 0.0028                 0.0000
 Beta2  Fr= 1--      1.5947                 1.7653                 2.0318
 AlphaG Fr= 1--     -1.3799                -0.7341                 0.0000
 Gamma2 Fr= 1--   -608.2375                 3.1032                 6.1085
 Delta2 Fr= 1--     -6.6180                 4.1287                 2.3028
 Raman1 Fr= 1--      44.998                 49.934                 56.891
 ROA1   Fr= 1--  -58602.578                430.025                660.101
 CID1   Fr= 1--   -1302.328                  8.612                 11.603
 Raman2 Fr= 1--      19.136                 21.184                 24.382
 ROA2   Fr= 1--  -14544.757                 41.448                128.181
 CID2   Fr= 1--    -760.055                  1.957                  5.257
 Raman3 Fr= 1--      38.273                 42.368                 48.764
 ROA3   Fr= 1--  -58602.578                430.025                660.101
 CID3   Fr= 1--   -1531.177                 10.150                 13.537
 RC180  Fr= 1--       0.701                  0.697                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.21  -0.01  -0.00    -0.02  -0.00   0.00    -0.02  -0.00  -0.00
     3   7     0.01   0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.00  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.21   0.01  -0.00     0.02   0.00   0.00    -0.02  -0.00   0.00
     6   6     0.09   0.01   0.02    -0.03  -0.00   0.00    -0.01  -0.00   0.00
     7   1     0.18   0.01   0.02     0.24   0.01   0.02     0.22   0.01   0.01
     8   6     0.02   0.00   0.01    -0.05  -0.00   0.00    -0.05  -0.00  -0.00
     9   1    -0.30  -0.01  -0.01     0.57   0.03   0.04     0.57   0.03   0.03
    10   6    -0.03  -0.01   0.01    -0.07  -0.01  -0.00    -0.07  -0.00  -0.00
    11   1    -0.46  -0.03  -0.01     0.30   0.01   0.02     0.32   0.01   0.02
    12   6     0.24   0.01   0.00     0.07   0.00   0.00     0.07   0.00   0.00
    13   6    -0.03   0.00  -0.03     0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.22   0.00  -0.04    -0.06  -0.00  -0.01    -0.06  -0.00  -0.01
    15   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    17   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.01   0.02     0.01  -0.01   0.00    -0.00   0.00  -0.00
    19   1     0.01  -0.02   0.02     0.00   0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.01  -0.00   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02     0.00  -0.00   0.00     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.01   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.01   0.02   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    28   1    -0.00   0.01   0.02    -0.01   0.01   0.00    -0.00   0.00   0.00
    29   6    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1    -0.00   0.02  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    31   6     0.03  -0.00  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    32   1     0.22  -0.00  -0.04     0.06   0.00  -0.01    -0.06  -0.00   0.01
    33   6    -0.24  -0.01   0.00    -0.07  -0.00   0.00     0.07   0.00  -0.00
    34   6     0.03   0.01   0.01     0.07   0.01  -0.00    -0.07  -0.00   0.00
    35   1     0.46   0.03  -0.01    -0.30  -0.01   0.02     0.32   0.01  -0.02
    36   6    -0.02  -0.00   0.01     0.05   0.00   0.00    -0.05  -0.00   0.00
    37   1     0.30   0.01  -0.01    -0.57  -0.03   0.04     0.57   0.03  -0.03
    38   6    -0.09  -0.01   0.02     0.03   0.00   0.00    -0.01  -0.00  -0.00
    39   1    -0.18  -0.01   0.02    -0.24  -0.01   0.02     0.22   0.01  -0.01
                     34                     35                     36
                      A                      B                      A
 Frequencies --    784.2491               808.2602               821.4294
 Red. masses --      2.3116                 3.4449                 1.3973
 Frc consts  --      0.8377                 1.3260                 0.5555
 IR Inten    --     20.6494                11.1505                 0.0683
 RamAct Fr= 1--      0.5042                 0.1366                 6.8807
  Dep-P Fr= 1--      0.2325                 0.7500                 0.7216
  Dep-U Fr= 1--      0.3772                 0.8571                 0.8383
 Alpha2 Fr= 1--      0.0063                 0.0000                 0.0034
 Beta2  Fr= 1--      0.0317                 0.0195                 0.9613
 AlphaG Fr= 1--     -4.5302                 0.0000                -1.3221
 Gamma2 Fr= 1--     -3.2309               -20.6200              -296.2262
 Delta2 Fr= 1--     -0.8969                -0.2294                 5.4534
 Raman1 Fr= 1--       2.017                  0.546                 27.523
 ROA1   Fr= 1--    -338.869              -1986.861             -28263.206
 CID1   Fr= 1--    -168.019              -3637.469              -1026.902
 Raman2 Fr= 1--       0.380                  0.234                 11.536
 ROA2   Fr= 1--     -70.367               -493.045              -7153.056
 CID2   Fr= 1--    -184.975              -2106.180               -620.060
 Raman3 Fr= 1--       0.761                  0.468                 23.072
 ROA3   Fr= 1--    -338.869              -1986.861             -28263.206
 CID3   Fr= 1--    -445.397              -4243.714              -1224.992
 RC180  Fr= 1--      -0.246                  0.714                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.01  -0.01  -0.02     0.00  -0.03  -0.04     0.03  -0.00   0.00
     3   7    -0.02   0.00   0.01    -0.02   0.01  -0.03     0.00   0.00  -0.00
     4   7     0.02  -0.00   0.01    -0.02   0.01   0.03    -0.00  -0.00  -0.00
     5   7     0.01   0.01  -0.02     0.00  -0.03   0.04    -0.03   0.00   0.00
     6   6     0.00  -0.02  -0.05     0.00  -0.03  -0.09    -0.11  -0.00  -0.01
     7   1     0.03  -0.00  -0.04     0.02  -0.00  -0.07     0.50   0.03   0.04
     8   6     0.00  -0.00  -0.05     0.00  -0.00  -0.09     0.00  -0.00   0.00
     9   1     0.03  -0.06  -0.01     0.02  -0.12  -0.01     0.12   0.00   0.01
    10   6    -0.00   0.05  -0.01    -0.00   0.12  -0.01     0.07   0.00   0.00
    11   1    -0.03   0.04  -0.04    -0.03   0.10  -0.06    -0.46  -0.02  -0.03
    12   6     0.02   0.01   0.05     0.00   0.01   0.10    -0.01  -0.00   0.00
    13   6    -0.02  -0.01   0.10    -0.02  -0.02   0.20    -0.01   0.00   0.00
    14   1     0.02   0.04   0.17    -0.05   0.13   0.37     0.08   0.00   0.01
    15   6     0.12   0.04  -0.03     0.05  -0.09  -0.07    -0.00  -0.00  -0.00
    16   1     0.10  -0.07   0.05     0.05  -0.07  -0.08    -0.00  -0.00  -0.01
    17   6     0.05   0.12  -0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    18   1    -0.38   0.32  -0.04     0.08  -0.06   0.09     0.02  -0.01  -0.00
    19   1    -0.02  -0.34   0.06     0.01   0.06   0.05     0.00   0.02   0.00
    20   6     0.04   0.05   0.00    -0.04   0.06  -0.04    -0.00  -0.00  -0.00
    21   1     0.03   0.03  -0.11    -0.02  -0.14   0.21    -0.00  -0.00   0.01
    22   1    -0.05  -0.03  -0.01     0.26   0.05  -0.16     0.01  -0.00  -0.00
    23   6    -0.04  -0.05   0.00    -0.04   0.06   0.04     0.00   0.00  -0.00
    24   1     0.05   0.03  -0.01     0.26   0.05   0.16    -0.01   0.00  -0.00
    25   1    -0.03  -0.03  -0.11    -0.02  -0.14  -0.21     0.00   0.00   0.01
    26   6    -0.05  -0.12  -0.01    -0.01  -0.02   0.05     0.00   0.00  -0.00
    27   1     0.02   0.34   0.06     0.01   0.06  -0.05    -0.00  -0.02   0.00
    28   1     0.38  -0.32  -0.04     0.08  -0.06  -0.09    -0.02   0.01  -0.00
    29   6    -0.12  -0.04  -0.03     0.05  -0.09   0.07     0.00   0.00  -0.00
    30   1    -0.10   0.07   0.05     0.05  -0.07   0.08     0.00   0.00  -0.01
    31   6     0.02   0.01   0.10    -0.02  -0.02  -0.20     0.01  -0.00   0.00
    32   1    -0.02  -0.04   0.17    -0.05   0.13  -0.37    -0.08  -0.00   0.01
    33   6    -0.02  -0.01   0.05     0.00   0.01  -0.10     0.01   0.00   0.00
    34   6     0.00  -0.05  -0.01    -0.00   0.12   0.01    -0.07  -0.00   0.00
    35   1     0.03  -0.04  -0.04    -0.03   0.10   0.06     0.46   0.02  -0.03
    36   6    -0.00   0.00  -0.05     0.00  -0.00   0.09    -0.00   0.00   0.00
    37   1    -0.03   0.06  -0.01     0.02  -0.12   0.01    -0.12  -0.00   0.01
    38   6    -0.00   0.02  -0.05     0.00  -0.03   0.09     0.11   0.00  -0.01
    39   1    -0.03   0.00  -0.04     0.02  -0.00   0.07    -0.50  -0.03   0.04
                     37                     38                     39
                      B                      A                      A
 Frequencies --    828.3827               832.4511               852.6933
 Red. masses --      1.3278                 3.5105                 1.7863
 Frc consts  --      0.5369                 1.4333                 0.7652
 IR Inten    --      1.0153                34.8498                13.9749
 RamAct Fr= 1--      4.4194                15.6057                 8.6703
  Dep-P Fr= 1--      0.7500                 0.0559                 0.1537
  Dep-U Fr= 1--      0.8571                 0.1059                 0.2664
 Alpha2 Fr= 1--      0.0000                 0.3040                 0.1328
 Beta2  Fr= 1--      0.6313                 0.2753                 0.3849
 AlphaG Fr= 1--     -0.0000                25.9014                -8.5208
 Gamma2 Fr= 1--     -4.7980                32.4069                -8.1053
 Delta2 Fr= 1--     -2.3743                -0.4995                 1.1008
 Raman1 Fr= 1--      17.678                 62.423                 34.681
 ROA1   Fr= 1--    -536.586               3095.074               -742.889
 CID1   Fr= 1--     -30.354                 49.583                -21.421
 Raman2 Fr= 1--       7.576                  3.304                  4.619
 ROA2   Fr= 1--     -96.158                781.761               -203.334
 CID2   Fr= 1--     -12.692                236.624                -44.018
 Raman3 Fr= 1--      15.152                  6.608                  9.239
 ROA3   Fr= 1--    -536.586               3095.074               -742.889
 CID3   Fr= 1--     -35.413                468.410                -80.411
 RC180  Fr= 1--       0.714                 -0.788                 -0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00   0.00     0.00  -0.00   0.02     0.00  -0.00  -0.00
     2   7    -0.02  -0.00  -0.00    -0.00  -0.02  -0.03     0.00   0.01   0.00
     3   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.07     0.01  -0.01   0.02
     4   7    -0.01  -0.00   0.00     0.01  -0.00  -0.07    -0.01   0.01   0.02
     5   7    -0.02  -0.00   0.00     0.00   0.02  -0.03    -0.00  -0.01   0.00
     6   6     0.08   0.00   0.00     0.01  -0.03  -0.08    -0.01   0.00   0.01
     7   1    -0.42  -0.02  -0.03    -0.02  -0.01  -0.06     0.04   0.00   0.01
     8   6     0.02   0.00   0.00     0.00  -0.00  -0.07     0.01  -0.00   0.01
     9   1    -0.23  -0.01  -0.01     0.00  -0.12   0.00    -0.03   0.02  -0.00
    10   6    -0.08  -0.00  -0.00    -0.01   0.11  -0.00    -0.00  -0.02  -0.00
    11   1     0.50   0.03   0.03     0.01   0.10  -0.02     0.02  -0.02   0.00
    12   6     0.01  -0.00   0.00     0.00   0.01   0.08    -0.01   0.00  -0.01
    13   6     0.01  -0.00   0.00    -0.01  -0.04   0.15     0.01  -0.00  -0.02
    14   1    -0.08   0.00  -0.00    -0.06   0.10   0.31    -0.02  -0.05  -0.07
    15   6     0.00  -0.00  -0.00     0.02  -0.05  -0.09    -0.04   0.05   0.01
    16   1     0.00   0.00   0.00     0.01  -0.07  -0.13    -0.03   0.09   0.01
    17   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.04     0.05  -0.02  -0.07
    18   1    -0.00   0.00   0.00     0.26  -0.26  -0.12    -0.10   0.04  -0.20
    19   1     0.00  -0.00   0.00     0.03   0.15   0.05     0.02  -0.18  -0.28
    20   6    -0.00   0.00  -0.00    -0.08  -0.09   0.09     0.01  -0.08   0.11
    21   1    -0.00  -0.01   0.01    -0.07  -0.04   0.17    -0.02  -0.01  -0.28
    22   1     0.01   0.00  -0.00    -0.03  -0.12   0.05    -0.36  -0.20   0.19
    23   6    -0.00   0.00   0.00     0.08   0.09   0.09    -0.01   0.08   0.11
    24   1     0.01   0.00   0.00     0.03   0.12   0.05     0.36   0.20   0.19
    25   1    -0.00  -0.01  -0.01     0.07   0.04   0.17     0.02   0.01  -0.28
    26   6     0.00  -0.00   0.00     0.02   0.13  -0.04    -0.05   0.02  -0.07
    27   1     0.00  -0.00  -0.00    -0.03  -0.15   0.05    -0.02   0.18  -0.28
    28   1    -0.00   0.00  -0.00    -0.26   0.26  -0.12     0.10  -0.04  -0.20
    29   6     0.00  -0.00   0.00    -0.02   0.05  -0.09     0.04  -0.05   0.01
    30   1     0.00   0.00  -0.00    -0.01   0.07  -0.13     0.03  -0.09   0.01
    31   6     0.01  -0.00  -0.00     0.01   0.04   0.15    -0.01   0.00  -0.02
    32   1    -0.08   0.00   0.00     0.06  -0.10   0.31     0.02   0.05  -0.07
    33   6     0.01  -0.00  -0.00    -0.00  -0.01   0.08     0.01  -0.00  -0.01
    34   6    -0.08  -0.00   0.00     0.01  -0.11  -0.00     0.00   0.02  -0.00
    35   1     0.50   0.03  -0.03    -0.01  -0.10  -0.02    -0.02   0.02   0.00
    36   6     0.02   0.00  -0.00    -0.00   0.00  -0.07    -0.01   0.00   0.01
    37   1    -0.23  -0.01   0.01    -0.00   0.12   0.00     0.03  -0.02  -0.00
    38   6     0.08   0.00  -0.00    -0.01   0.03  -0.08     0.01  -0.00   0.01
    39   1    -0.42  -0.02   0.03     0.02   0.01  -0.06    -0.04  -0.00   0.01
                     40                     41                     42
                      A                      B                      B
 Frequencies --    859.3042               867.2933               882.5731
 Red. masses --      1.3650                 1.3610                 1.8945
 Frc consts  --      0.5938                 0.6032                 0.8695
 IR Inten    --      0.7634                 4.7569                 3.3158
 RamAct Fr= 1--      1.8659                 1.8654                 0.0908
  Dep-P Fr= 1--      0.7322                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8454                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2629                 0.2665                 0.0130
 AlphaG Fr= 1--      0.0230                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.9005                -2.3011                 0.6428
 Delta2 Fr= 1--      0.6205                -0.4520                 0.9576
 Raman1 Fr= 1--       7.463                  7.462                  0.363
 ROA1   Fr= 1--     -66.592               -235.367                 92.354
 CID1   Fr= 1--      -8.922                -31.544                254.201
 Raman2 Fr= 1--       3.155                  3.198                  0.156
 ROA2   Fr= 1--     -26.577                -51.609                  7.766
 CID2   Fr= 1--      -8.424                -16.139                 49.877
 Raman3 Fr= 1--       6.309                  6.396                  0.311
 ROA3   Fr= 1--     -66.592               -235.367                 92.354
 CID3   Fr= 1--     -10.554                -36.801                296.568
 RC180  Fr= 1--       0.691                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   7    -0.01   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.09
     4   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.09
     5   7     0.01  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6     0.07   0.00   0.01    -0.09  -0.00  -0.00     0.00  -0.00  -0.03
     7   1    -0.39  -0.03  -0.03     0.51   0.02   0.03     0.00  -0.00  -0.03
     8   6    -0.08  -0.00  -0.00     0.08   0.00   0.00     0.00   0.01  -0.01
     9   1     0.43   0.03   0.02    -0.37  -0.02  -0.02    -0.01  -0.05   0.02
    10   6     0.06   0.00   0.00    -0.05  -0.00  -0.00    -0.00   0.04   0.01
    11   1    -0.38  -0.02  -0.02     0.29   0.01   0.02     0.01   0.04   0.02
    12   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.01   0.02
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.05   0.04
    14   1     0.03  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.01   0.11
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.06
    16   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.15  -0.19
    17   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.04  -0.02   0.04
    18   1    -0.00  -0.00  -0.02    -0.00   0.00   0.00     0.17  -0.12  -0.02
    19   1     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.01   0.19  -0.03
    20   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.06  -0.05   0.09
    21   1    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.04   0.33  -0.16
    22   1    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.32  -0.04   0.25
    23   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.06  -0.05  -0.09
    24   1     0.02   0.01   0.01     0.00   0.00   0.00    -0.32  -0.04  -0.25
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.04   0.33   0.16
    26   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.04  -0.02  -0.04
    27   1    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.01   0.19   0.03
    28   1     0.00   0.00  -0.02    -0.00   0.00  -0.00     0.17  -0.12   0.02
    29   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.05   0.06
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.15   0.19
    31   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.05  -0.04
    32   1    -0.03   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.01  -0.11
    33   6     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.01  -0.02
    34   6    -0.06  -0.00   0.00    -0.05  -0.00   0.00    -0.00   0.04  -0.01
    35   1     0.38   0.02  -0.02     0.29   0.01  -0.02     0.01   0.04  -0.02
    36   6     0.08   0.00  -0.00     0.08   0.00  -0.00     0.00   0.01   0.01
    37   1    -0.43  -0.03   0.02    -0.37  -0.02   0.02    -0.01  -0.05  -0.02
    38   6    -0.07  -0.00   0.01    -0.09  -0.00   0.00     0.00  -0.00   0.03
    39   1     0.39   0.03  -0.03     0.51   0.02  -0.03     0.00  -0.00   0.03
                     43                     44                     45
                      A                      B                      A
 Frequencies --    898.9353               922.0811               923.8041
 Red. masses --      2.1004                 4.6200                 4.5902
 Frc consts  --      1.0000                 2.3144                 2.3080
 IR Inten    --      2.8552                 1.7102                 3.9066
 RamAct Fr= 1--      1.1658                41.6995                 3.5826
  Dep-P Fr= 1--      0.0612                 0.7500                 0.4578
  Dep-U Fr= 1--      0.1153                 0.8571                 0.6280
 Alpha2 Fr= 1--      0.0224                 0.0000                 0.0213
 Beta2  Fr= 1--      0.0224                 5.9571                 0.3750
 AlphaG Fr= 1--    -17.1293                -0.0000                -5.6101
 Gamma2 Fr= 1--    -21.0356                85.8113                24.5274
 Delta2 Fr= 1--      0.8036                -2.5906                 1.4792
 Raman1 Fr= 1--       4.663                166.798                 14.330
 ROA1   Fr= 1--   -1993.701               8154.988               2401.965
 CID1   Fr= 1--    -427.528                 48.891                167.613
 Raman2 Fr= 1--       0.269                 71.485                  4.500
 ROA2   Fr= 1--    -511.283               2080.196                576.823
 CID2   Fr= 1--   -1902.405                 29.100                128.185
 Raman3 Fr= 1--       0.538                142.970                  9.000
 ROA3   Fr= 1--   -1993.701               8154.988               2401.965
 CID3   Fr= 1--   -3709.124                 57.040                266.889
 RC180  Fr= 1--      -0.769                  0.714                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.01    -0.00   0.01   0.00     0.00  -0.00   0.01
     2   7     0.00  -0.00  -0.00     0.01  -0.02  -0.13     0.01  -0.02  -0.13
     3   7     0.01   0.00  -0.06    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
     4   7    -0.01  -0.00  -0.06    -0.00  -0.01   0.00     0.00   0.01   0.00
     5   7    -0.00   0.00  -0.00     0.01  -0.02   0.13    -0.01   0.02  -0.13
     6   6    -0.00  -0.00  -0.02     0.00   0.14  -0.18     0.01   0.14  -0.18
     7   1     0.01   0.00  -0.01     0.02   0.04  -0.28     0.00   0.03  -0.29
     8   6    -0.00   0.00  -0.01    -0.02   0.13   0.18    -0.02   0.13   0.18
     9   1     0.02  -0.04   0.02    -0.02   0.02   0.25    -0.01   0.02   0.25
    10   6     0.00   0.04   0.01     0.00  -0.14   0.07     0.00  -0.14   0.07
    11   1    -0.03   0.04   0.01     0.02  -0.25  -0.32     0.02  -0.25  -0.32
    12   6    -0.02  -0.00   0.02     0.00  -0.11   0.02     0.00  -0.11   0.01
    13   6     0.04  -0.02   0.03     0.01  -0.01   0.05     0.01  -0.01   0.05
    14   1    -0.17   0.06   0.10    -0.06   0.05   0.13    -0.05   0.06   0.13
    15   6    -0.12  -0.02  -0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.10   0.09  -0.14    -0.01  -0.02   0.01     0.00  -0.00  -0.01
    17   6     0.02  -0.02   0.08     0.01   0.01   0.00    -0.00  -0.00  -0.00
    18   1    -0.01   0.00   0.42    -0.03   0.02   0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.07  -0.19     0.00  -0.03   0.00     0.00   0.00   0.00
    20   6     0.10   0.07  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    21   1     0.08   0.07  -0.27    -0.00  -0.04  -0.00    -0.00  -0.00   0.00
    22   1    -0.14   0.16   0.15     0.02   0.00  -0.01     0.00  -0.01  -0.00
    23   6    -0.10  -0.07  -0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
    24   1     0.14  -0.16   0.15     0.02   0.00   0.01    -0.00   0.01  -0.00
    25   1    -0.08  -0.07  -0.27    -0.00  -0.04   0.00     0.00   0.00   0.00
    26   6    -0.02   0.02   0.08     0.01   0.01  -0.00     0.00   0.00  -0.00
    27   1    -0.01   0.07  -0.19     0.00  -0.03  -0.00    -0.00  -0.00   0.00
    28   1     0.01  -0.00   0.42    -0.03   0.02  -0.02    -0.00   0.00  -0.00
    29   6     0.12   0.02  -0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.10  -0.09  -0.14    -0.01  -0.02  -0.01    -0.00   0.00  -0.01
    31   6    -0.04   0.02   0.03     0.01  -0.01  -0.05    -0.01   0.01   0.05
    32   1     0.17  -0.06   0.10    -0.06   0.05  -0.13     0.05  -0.06   0.13
    33   6     0.02   0.00   0.02     0.00  -0.11  -0.02    -0.00   0.11   0.01
    34   6    -0.00  -0.04   0.01     0.00  -0.14  -0.07    -0.00   0.14   0.07
    35   1     0.03  -0.04   0.01     0.02  -0.25   0.32    -0.02   0.25  -0.32
    36   6     0.00  -0.00  -0.01    -0.02   0.13  -0.18     0.02  -0.13   0.18
    37   1    -0.02   0.04   0.02    -0.02   0.02  -0.25     0.01  -0.02   0.25
    38   6     0.00   0.00  -0.02     0.00   0.14   0.18    -0.01  -0.14  -0.18
    39   1    -0.01  -0.00  -0.01     0.02   0.04   0.28    -0.00  -0.03  -0.29
                     46                     47                     48
                      B                      B                      A
 Frequencies --    943.0352               959.2096               960.7671
 Red. masses --      1.8257                 1.6034                 1.4773
 Frc consts  --      0.9566                 0.8692                 0.8034
 IR Inten    --      6.5759                11.6951                 4.8305
 RamAct Fr= 1--      0.9035                 0.1853                18.4685
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6644
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7984
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0281
 Beta2  Fr= 1--      0.1291                 0.0265                 2.4575
 AlphaG Fr= 1--     -0.0000                 0.0000                 7.0176
 Gamma2 Fr= 1--     -4.4840                 4.5824              -519.4794
 Delta2 Fr= 1--     -0.3873                 1.0572                -3.1291
 Raman1 Fr= 1--       3.614                  0.741                 73.874
 ROA1   Fr= 1--    -442.857                473.742             -49970.154
 CID1   Fr= 1--    -122.538                639.027               -676.424
 Raman2 Fr= 1--       1.549                  0.318                 29.490
 ROA2   Fr= 1--    -104.518                101.520             -12442.473
 CID2   Fr= 1--     -67.480                319.526               -421.915
 Raman3 Fr= 1--       3.098                  0.635                 58.981
 ROA3   Fr= 1--    -442.857                473.742             -49970.154
 CID3   Fr= 1--    -142.961                745.532               -847.226
 RC180  Fr= 1--       0.714                  0.714                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   7    -0.01   0.01   0.08     0.03   0.01  -0.03     0.04   0.00   0.00
     4   7    -0.01   0.01  -0.08     0.03   0.01   0.03    -0.04  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
     7   1    -0.02   0.00   0.00    -0.05   0.01   0.00    -0.04   0.00  -0.01
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.04  -0.02    -0.01  -0.04   0.02    -0.01  -0.02   0.01
    10   6    -0.00  -0.03  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
    11   1     0.02  -0.04  -0.05     0.05   0.02  -0.00     0.06  -0.00  -0.02
    12   6     0.01   0.00  -0.01     0.04  -0.00   0.01     0.04  -0.00   0.01
    13   6    -0.04   0.06  -0.01    -0.12  -0.01  -0.00    -0.13  -0.00  -0.01
    14   1     0.18   0.02  -0.04     0.60   0.02   0.09     0.67   0.00   0.07
    15   6     0.05  -0.05   0.01    -0.01  -0.01  -0.00    -0.02   0.00  -0.01
    16   1     0.07   0.15  -0.06    -0.03  -0.14  -0.01    -0.02   0.02  -0.08
    17   6    -0.11  -0.02   0.01     0.01   0.07   0.04    -0.01  -0.01   0.01
    18   1     0.27  -0.19   0.07    -0.14   0.14   0.08     0.02  -0.02   0.06
    19   1    -0.04   0.37   0.10    -0.01  -0.09   0.07    -0.00   0.02  -0.07
    20   6     0.04   0.00  -0.07     0.01  -0.04  -0.01     0.02   0.01   0.00
    21   1     0.05   0.25   0.07     0.01  -0.07  -0.06     0.02   0.01  -0.06
    22   1     0.00  -0.18  -0.16    -0.02  -0.10  -0.04    -0.04   0.03   0.04
    23   6     0.04   0.00   0.07     0.01  -0.04   0.01    -0.02  -0.01   0.00
    24   1     0.00  -0.18   0.16    -0.02  -0.10   0.04     0.04  -0.03   0.04
    25   1     0.05   0.25  -0.07     0.01  -0.07   0.06    -0.02  -0.01  -0.06
    26   6    -0.11  -0.02  -0.01     0.01   0.07  -0.04     0.01   0.01   0.01
    27   1    -0.04   0.37  -0.10    -0.01  -0.09  -0.07     0.00  -0.02  -0.07
    28   1     0.27  -0.19  -0.07    -0.14   0.14  -0.08    -0.02   0.02   0.06
    29   6     0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.02  -0.00  -0.01
    30   1     0.07   0.15   0.06    -0.03  -0.14   0.01     0.02  -0.02  -0.08
    31   6    -0.04   0.06   0.01    -0.12  -0.01   0.00     0.13   0.00  -0.01
    32   1     0.18   0.02   0.04     0.60   0.02  -0.09    -0.67  -0.00   0.07
    33   6     0.01   0.00   0.01     0.04  -0.00  -0.01    -0.04   0.00   0.01
    34   6    -0.00  -0.03   0.01    -0.01   0.02  -0.00     0.01  -0.00  -0.00
    35   1     0.02  -0.04   0.05     0.05   0.02   0.00    -0.06   0.00  -0.02
    36   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   1    -0.01   0.04   0.02    -0.01  -0.04  -0.02     0.01   0.02   0.01
    38   6     0.00   0.00  -0.01     0.01   0.00   0.01    -0.00  -0.00  -0.00
    39   1    -0.02   0.00  -0.00    -0.05   0.01  -0.00     0.04  -0.00  -0.01
                     49                     50                     51
                      B                      B                      A
 Frequencies --    962.9280              1007.2084              1012.3833
 Red. masses --      2.0879                 2.1310                 2.2758
 Frc consts  --      1.1406                 1.2737                 1.3743
 IR Inten    --      3.0803                16.1337                16.0644
 RamAct Fr= 1--     10.5370                13.1366                98.7381
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2831
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4412
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0647
 Beta2  Fr= 1--      1.5053                 1.8767                 7.2609
 AlphaG Fr= 1--     -0.0000                -0.0000               188.7576
 Gamma2 Fr= 1--     77.3353               -31.6419              -358.1388
 Delta2 Fr= 1--      5.5087                 7.4608               -25.2045
 Raman1 Fr= 1--      42.148                 52.546                394.952
 ROA1   Fr= 1--    7600.467              -2798.876             -35187.869
 CID1   Fr= 1--     180.328                -53.265                -89.094
 Raman2 Fr= 1--      18.063                 22.520                 87.131
 ROA2   Fr= 1--    1811.977               -819.092              -8393.695
 CID2   Fr= 1--     100.312                -36.372                -96.334
 Raman3 Fr= 1--      36.127                 45.040                174.263
 ROA3   Fr= 1--    7600.467              -2798.876             -35187.869
 CID3   Fr= 1--     210.383                -62.142               -201.924
 RC180  Fr= 1--       0.714                  0.714                 -0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.00   0.00  -0.00
     2   7    -0.00  -0.01   0.01    -0.01   0.16  -0.01    -0.01   0.17  -0.01
     3   7    -0.02   0.00  -0.04    -0.00   0.01  -0.01    -0.00   0.01   0.00
     4   7    -0.02   0.00   0.04    -0.00   0.01   0.01     0.00  -0.01   0.00
     5   7    -0.00  -0.01  -0.01    -0.01   0.16   0.01     0.01  -0.17  -0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.06   0.05    -0.00  -0.06   0.05
     7   1     0.03   0.02   0.01     0.03  -0.37  -0.24     0.05  -0.35  -0.23
     8   6    -0.00   0.00  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
     9   1     0.01  -0.02   0.01    -0.01   0.38  -0.23    -0.01   0.40  -0.25
    10   6     0.01   0.02   0.01     0.01  -0.08  -0.03     0.01  -0.10  -0.04
    11   1    -0.04   0.03   0.04     0.01  -0.10  -0.07     0.01  -0.11  -0.06
    12   6    -0.02  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    13   6     0.07   0.00   0.00    -0.01  -0.02   0.06    -0.01  -0.01   0.07
    14   1    -0.39   0.05   0.02    -0.00   0.07   0.17    -0.01   0.07   0.17
    15   6     0.01  -0.04   0.01    -0.00   0.00  -0.02     0.00  -0.01  -0.03
    16   1     0.01  -0.08   0.03    -0.00  -0.00  -0.03     0.00  -0.00  -0.03
    17   6    -0.03   0.12   0.10     0.00   0.00   0.02     0.00  -0.01   0.00
    18   1    -0.12   0.17   0.21    -0.01   0.01   0.07     0.01  -0.02   0.04
    19   1    -0.04  -0.00   0.23     0.00  -0.02   0.02     0.00  -0.00   0.01
    20   6     0.04  -0.08  -0.07     0.00  -0.01  -0.00     0.00   0.00   0.01
    21   1     0.04   0.00  -0.08     0.00  -0.03  -0.02     0.00   0.01   0.01
    22   1    -0.04  -0.32  -0.18     0.00  -0.02  -0.01    -0.00   0.01   0.01
    23   6     0.04  -0.08   0.07     0.00  -0.01   0.00    -0.00  -0.00   0.01
    24   1    -0.04  -0.32   0.18     0.00  -0.02   0.01     0.00  -0.01   0.01
    25   1     0.04   0.00   0.08     0.00  -0.03   0.02    -0.00  -0.01   0.01
    26   6    -0.03   0.12  -0.10     0.00   0.00  -0.02    -0.00   0.01   0.00
    27   1    -0.04  -0.00  -0.23     0.00  -0.02  -0.02    -0.00   0.00   0.01
    28   1    -0.12   0.17  -0.21    -0.01   0.01  -0.07    -0.01   0.02   0.04
    29   6     0.01  -0.04  -0.01    -0.00   0.00   0.02    -0.00   0.01  -0.03
    30   1     0.01  -0.08  -0.03    -0.00  -0.00   0.03    -0.00   0.00  -0.03
    31   6     0.07   0.00  -0.00    -0.01  -0.02  -0.06     0.01   0.01   0.07
    32   1    -0.39   0.05  -0.02    -0.00   0.07  -0.17     0.01  -0.07   0.17
    33   6    -0.02  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    34   6     0.01   0.02  -0.01     0.01  -0.08   0.03    -0.01   0.10  -0.04
    35   1    -0.04   0.03  -0.04     0.01  -0.10   0.07    -0.01   0.11  -0.06
    36   6    -0.00   0.00   0.01     0.00   0.01  -0.00    -0.00   0.00  -0.00
    37   1     0.01  -0.02  -0.01    -0.01   0.38   0.23     0.01  -0.40  -0.25
    38   6    -0.00  -0.00   0.00    -0.00  -0.06  -0.05     0.00   0.06   0.05
    39   1     0.03   0.02  -0.01     0.03  -0.37   0.24    -0.05   0.35  -0.23
                     52                     53                     54
                      B                      B                      A
 Frequencies --   1061.9465              1063.6222              1064.2156
 Red. masses --      1.4776                 1.5365                 1.3924
 Frc consts  --      0.9818                 1.0241                 0.9291
 IR Inten    --     47.5000                39.5892               146.9072
 RamAct Fr= 1--     49.8616                16.8148               103.6083
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6107
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7583
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.2655
 Beta2  Fr= 1--      7.1231                 2.4021                13.0943
 AlphaG Fr= 1--     -0.0000                -0.0000                60.7836
 Gamma2 Fr= 1--    301.7326               191.7604              -567.9941
 Delta2 Fr= 1--     16.4014                 2.6617               -25.1175
 Raman1 Fr= 1--     199.446                 67.259                414.433
 ROA1   Fr= 1--   29491.171              18494.174             -55331.192
 CID1   Fr= 1--     147.865                274.969               -133.511
 Raman2 Fr= 1--      85.477                 28.825                157.132
 ROA2   Fr= 1--    7110.370               4580.956             -13430.918
 CID2   Fr= 1--      83.185                158.921                -85.476
 Raman3 Fr= 1--     170.954                 57.651                314.263
 ROA3   Fr= 1--   29491.171              18494.174             -55331.192
 CID3   Fr= 1--     172.509                320.797               -176.066
 RC180  Fr= 1--       0.714                  0.714                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.05  -0.01    -0.00   0.04   0.01     0.00  -0.06  -0.01
     3   7     0.01  -0.01  -0.01     0.01   0.00  -0.01     0.00  -0.01  -0.01
     4   7     0.01  -0.01   0.01     0.01   0.00   0.01    -0.00   0.01  -0.01
     5   7     0.00  -0.05   0.01    -0.00   0.04  -0.01    -0.00   0.06  -0.01
     6   6     0.00   0.01  -0.03    -0.00   0.01   0.02     0.00   0.01  -0.04
     7   1    -0.01   0.05   0.01    -0.00   0.00   0.02    -0.00   0.04  -0.01
     8   6     0.00   0.03  -0.04     0.00  -0.04   0.03     0.00   0.05  -0.05
     9   1    -0.00   0.27  -0.18     0.00  -0.29   0.18    -0.00   0.37  -0.25
    10   6    -0.00  -0.02   0.06     0.00   0.02  -0.05    -0.00  -0.03   0.07
    11   1    -0.03   0.08   0.43     0.02  -0.05  -0.31    -0.03   0.09   0.52
    12   6     0.00  -0.01  -0.02    -0.00   0.00   0.01     0.00  -0.01  -0.02
    13   6    -0.01  -0.01   0.01     0.00  -0.02  -0.01    -0.00   0.00   0.01
    14   1     0.03   0.00   0.03     0.01  -0.04  -0.03     0.02   0.03   0.05
    15   6    -0.02   0.05   0.00    -0.03   0.06  -0.01     0.00   0.00   0.01
    16   1    -0.01   0.20  -0.10    -0.01   0.27  -0.08    -0.00  -0.00  -0.02
    17   6     0.00  -0.04   0.05     0.01  -0.05   0.06    -0.01   0.01   0.01
    18   1     0.05  -0.06   0.24     0.06  -0.07   0.31    -0.00   0.00   0.01
    19   1     0.01   0.01  -0.07     0.01   0.01  -0.06    -0.01   0.01  -0.01
    20   6     0.00   0.01  -0.05     0.00   0.01  -0.06     0.00  -0.01  -0.01
    21   1    -0.00  -0.20  -0.06    -0.00  -0.23  -0.07     0.00  -0.02  -0.03
    22   1     0.07   0.06  -0.05     0.08   0.06  -0.06    -0.01  -0.03  -0.01
    23   6     0.00   0.01   0.05     0.00   0.01   0.06    -0.00   0.01  -0.01
    24   1     0.07   0.06   0.05     0.08   0.06   0.06     0.01   0.03  -0.01
    25   1    -0.00  -0.20   0.06    -0.00  -0.23   0.07    -0.00   0.02  -0.03
    26   6     0.00  -0.04  -0.05     0.01  -0.05  -0.06     0.01  -0.01   0.01
    27   1     0.01   0.01   0.07     0.01   0.01   0.06     0.01  -0.01  -0.01
    28   1     0.05  -0.06  -0.24     0.06  -0.07  -0.31     0.00  -0.00   0.01
    29   6    -0.02   0.05  -0.00    -0.03   0.06   0.01    -0.00  -0.00   0.01
    30   1    -0.01   0.20   0.10    -0.01   0.27   0.08     0.00   0.00  -0.02
    31   6    -0.01  -0.01  -0.01     0.00  -0.02   0.01     0.00  -0.00   0.01
    32   1     0.03   0.00  -0.03     0.01  -0.04   0.03    -0.02  -0.03   0.05
    33   6     0.00  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01  -0.02
    34   6    -0.00  -0.02  -0.06     0.00   0.02   0.05     0.00   0.03   0.07
    35   1    -0.03   0.08  -0.43     0.02  -0.05   0.31     0.03  -0.09   0.52
    36   6     0.00   0.03   0.04     0.00  -0.04  -0.03    -0.00  -0.05  -0.05
    37   1    -0.00   0.27   0.18     0.00  -0.29  -0.18     0.00  -0.37  -0.25
    38   6     0.00   0.01   0.03    -0.00   0.01  -0.02    -0.00  -0.01  -0.04
    39   1    -0.01   0.05  -0.01    -0.00   0.00  -0.02     0.00  -0.04  -0.01
                     55                     56                     57
                      A                      A                      B
 Frequencies --   1074.1941              1078.4917              1100.5498
 Red. masses --      4.0317                 1.7311                 1.9122
 Frc consts  --      2.7409                 1.1863                 1.3646
 IR Inten    --     12.6541                 0.6377                 5.8839
 RamAct Fr= 1--     21.3721                10.3762                 8.1697
  Dep-P Fr= 1--      0.5962                 0.3269                 0.7500
  Dep-U Fr= 1--      0.7470                 0.4927                 0.8571
 Alpha2 Fr= 1--      0.0610                 0.0980                 0.0000
 Beta2  Fr= 1--      2.6608                 0.8521                 1.1671
 AlphaG Fr= 1--    -90.5384                -4.6511                -0.0000
 Gamma2 Fr= 1--   -897.5514                13.1209                80.4128
 Delta2 Fr= 1--      6.9271                -0.7475                -1.4150
 Raman1 Fr= 1--      85.488                 41.505                 32.679
 ROA1   Fr= 1--  -85943.270               1235.686               7674.348
 CID1   Fr= 1--   -1005.320                 29.772                234.843
 Raman2 Fr= 1--      31.930                 10.225                 14.005
 ROA2   Fr= 1--  -21596.651                320.882               1941.227
 CID2   Fr= 1--    -676.378                 31.382                138.608
 Raman3 Fr= 1--      63.860                 20.450                 28.010
 ROA3   Fr= 1--  -85943.270               1235.686               7674.348
 CID3   Fr= 1--   -1345.814                 60.425                273.984
 RC180  Fr= 1--       0.494                 -0.015                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.00     0.00  -0.01  -0.00    -0.00   0.05  -0.00
     3   7     0.04   0.02  -0.16     0.00   0.00   0.01     0.03   0.01  -0.07
     4   7    -0.04  -0.02  -0.16    -0.00  -0.00   0.01     0.03   0.01   0.07
     5   7     0.00  -0.05   0.00    -0.00   0.01  -0.00    -0.00   0.05   0.00
     6   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.04  -0.01
     7   1     0.01  -0.05  -0.06    -0.00   0.02   0.01    -0.01   0.09   0.04
     8   6     0.00  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.04  -0.02
     9   1     0.01  -0.09   0.05     0.00   0.03  -0.02     0.01  -0.12   0.03
    10   6    -0.00   0.03  -0.00    -0.00  -0.01   0.01     0.00  -0.02   0.00
    11   1    -0.01   0.05   0.08    -0.00   0.00   0.05    -0.01   0.02   0.17
    12   6     0.00  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    13   6     0.00  -0.12   0.01     0.00  -0.01   0.00    -0.00  -0.06   0.02
    14   1     0.01  -0.04   0.11     0.00  -0.04  -0.04     0.01  -0.00   0.09
    15   6    -0.02   0.22   0.12     0.02   0.05  -0.00    -0.03   0.08   0.08
    16   1     0.01   0.33   0.13     0.02   0.06   0.02    -0.05  -0.16   0.27
    17   6     0.01  -0.01   0.10     0.03  -0.06  -0.06    -0.00  -0.06   0.00
    18   1    -0.02   0.00  -0.28     0.04  -0.06  -0.26     0.05  -0.09  -0.20
    19   1     0.02   0.02   0.23     0.04  -0.01  -0.11     0.02   0.04   0.35
    20   6    -0.02  -0.08  -0.07    -0.00   0.14   0.05    -0.01   0.02  -0.06
    21   1    -0.01  -0.14  -0.04     0.01   0.24   0.21     0.02   0.23   0.19
    22   1     0.06   0.20   0.06     0.09   0.46   0.22     0.08  -0.08  -0.15
    23   6     0.02   0.08  -0.07     0.00  -0.14   0.05    -0.01   0.02   0.06
    24   1    -0.06  -0.20   0.06    -0.09  -0.46   0.22     0.08  -0.08   0.15
    25   1     0.01   0.14  -0.04    -0.01  -0.24   0.21     0.02   0.23  -0.19
    26   6    -0.01   0.01   0.10    -0.03   0.06  -0.06    -0.00  -0.06  -0.00
    27   1    -0.02  -0.02   0.23    -0.04   0.01  -0.11     0.02   0.04  -0.35
    28   1     0.02  -0.00  -0.28    -0.04   0.06  -0.26     0.05  -0.09   0.20
    29   6     0.02  -0.22   0.12    -0.02  -0.05  -0.00    -0.03   0.08  -0.08
    30   1    -0.01  -0.33   0.13    -0.02  -0.06   0.02    -0.05  -0.16  -0.27
    31   6    -0.00   0.12   0.01    -0.00   0.01   0.00    -0.00  -0.06  -0.02
    32   1    -0.01   0.04   0.11    -0.00   0.04  -0.04     0.01  -0.00  -0.09
    33   6    -0.00   0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.02   0.01
    34   6     0.00  -0.03  -0.00     0.00   0.01   0.01     0.00  -0.02  -0.00
    35   1     0.01  -0.05   0.08     0.00  -0.00   0.05    -0.01   0.02  -0.17
    36   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.04   0.02
    37   1    -0.01   0.09   0.05    -0.00  -0.03  -0.02     0.01  -0.12  -0.03
    38   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    39   1    -0.01   0.05  -0.06     0.00  -0.02   0.01    -0.01   0.09  -0.04
                     58                     59                     60
                      B                      A                      A
 Frequencies --   1105.1744              1111.4035              1115.5841
 Red. masses --      2.4686                 2.2619                 2.7589
 Frc consts  --      1.7765                 1.6461                 2.0230
 IR Inten    --      1.6981                 2.1472                15.9117
 RamAct Fr= 1--     22.6513               225.8333                23.1471
  Dep-P Fr= 1--      0.7500                 0.3317                 0.0820
  Dep-U Fr= 1--      0.8571                 0.4982                 0.1515
 Alpha2 Fr= 1--      0.0000                 2.1018                 0.4235
 Beta2  Fr= 1--      3.2359                18.7503                 0.5845
 AlphaG Fr= 1--      0.0000               262.5291              -130.5607
 Gamma2 Fr= 1--    191.8025              -795.0854               -55.3225
 Delta2 Fr= 1--     34.1400               -35.0697                 3.3782
 Raman1 Fr= 1--      90.605                903.333                 92.588
 ROA1   Fr= 1--   19505.525             -77450.432              -5202.859
 CID1   Fr= 1--     215.280                -85.739                -56.193
 Raman2 Fr= 1--      38.831                225.004                  7.013
 ROA2   Fr= 1--    4330.141             -18801.492              -1354.766
 CID2   Fr= 1--     111.513                -83.561               -193.167
 Raman3 Fr= 1--      77.662                450.008                 14.027
 ROA3   Fr= 1--   19505.525             -77450.432              -5202.859
 CID3   Fr= 1--     251.160               -172.109               -370.921
 RC180  Fr= 1--       0.714                 -0.004                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   7    -0.00   0.10  -0.01    -0.00   0.10  -0.00     0.00   0.00   0.00
     3   7    -0.02   0.00   0.04     0.00   0.01  -0.01     0.03   0.01  -0.10
     4   7    -0.02   0.00  -0.04    -0.00  -0.01  -0.01    -0.03  -0.01  -0.10
     5   7    -0.00   0.10   0.01     0.00  -0.10  -0.00    -0.00  -0.00   0.00
     6   6    -0.01   0.12  -0.00    -0.00   0.13  -0.01     0.00  -0.04  -0.00
     7   1    -0.03   0.38   0.23    -0.04   0.36   0.19     0.02  -0.17  -0.12
     8   6     0.01  -0.11  -0.06     0.01  -0.11  -0.06    -0.00   0.03   0.02
     9   1     0.01  -0.25   0.01     0.01  -0.32   0.06    -0.00   0.05   0.02
    10   6     0.01  -0.11  -0.00     0.00  -0.09  -0.00    -0.00   0.05   0.00
    11   1    -0.01  -0.04   0.29    -0.02  -0.01   0.33    -0.00   0.05  -0.02
    12   6     0.00  -0.00  -0.02     0.00  -0.02  -0.02     0.00  -0.03   0.00
    13   6    -0.00   0.01   0.04    -0.00  -0.02   0.04    -0.00  -0.06  -0.01
    14   1    -0.03   0.10   0.15    -0.01   0.10   0.18     0.03   0.04   0.10
    15   6     0.02  -0.05  -0.05    -0.01  -0.03   0.02    -0.06  -0.08   0.16
    16   1     0.03   0.04  -0.09    -0.01  -0.06   0.07    -0.07  -0.27   0.32
    17   6     0.00   0.03  -0.01     0.01   0.00  -0.03     0.01   0.03  -0.10
    18   1    -0.03   0.05   0.07    -0.01   0.01   0.06    -0.07   0.08   0.10
    19   1    -0.01  -0.02  -0.13     0.00  -0.02  -0.04    -0.01  -0.03  -0.23
    20   6     0.00  -0.01   0.04    -0.01   0.02   0.01    -0.03   0.07   0.03
    21   1    -0.01  -0.06  -0.07    -0.01   0.03   0.04    -0.02   0.10   0.13
    22   1    -0.05   0.02   0.07     0.01  -0.07  -0.05     0.04  -0.22  -0.17
    23   6     0.00  -0.01  -0.04     0.01  -0.02   0.01     0.03  -0.07   0.03
    24   1    -0.05   0.02  -0.07    -0.01   0.07  -0.05    -0.04   0.22  -0.17
    25   1    -0.01  -0.06   0.07     0.01  -0.03   0.04     0.02  -0.10   0.13
    26   6     0.00   0.03   0.01    -0.01  -0.00  -0.03    -0.01  -0.03  -0.10
    27   1    -0.01  -0.02   0.13    -0.00   0.02  -0.04     0.01   0.03  -0.23
    28   1    -0.03   0.05  -0.07     0.01  -0.01   0.06     0.07  -0.08   0.10
    29   6     0.02  -0.05   0.05     0.01   0.03   0.02     0.06   0.08   0.16
    30   1     0.03   0.04   0.09     0.01   0.06   0.07     0.07   0.27   0.32
    31   6    -0.00   0.01  -0.04     0.00   0.02   0.04     0.00   0.06  -0.01
    32   1    -0.03   0.10  -0.15     0.01  -0.10   0.18    -0.03  -0.04   0.10
    33   6     0.00  -0.00   0.02    -0.00   0.02  -0.02    -0.00   0.03   0.00
    34   6     0.01  -0.11   0.00    -0.00   0.09  -0.00     0.00  -0.05   0.00
    35   1    -0.01  -0.04  -0.29     0.02   0.01   0.33     0.00  -0.05  -0.02
    36   6     0.01  -0.11   0.06    -0.01   0.11  -0.06     0.00  -0.03   0.02
    37   1     0.01  -0.25  -0.01    -0.01   0.32   0.06     0.00  -0.05   0.02
    38   6    -0.01   0.12   0.00     0.00  -0.13  -0.01    -0.00   0.04  -0.00
    39   1    -0.03   0.38  -0.23     0.04  -0.36   0.19    -0.02   0.17  -0.12
                     61                     62                     63
                      A                      B                      A
 Frequencies --   1153.1932              1174.2867              1230.0317
 Red. masses --      2.4488                 2.0806                 1.4807
 Frc consts  --      1.9187                 1.6904                 1.3199
 IR Inten    --     11.1596                 1.8121                 3.7457
 RamAct Fr= 1--     41.8789                10.7408                94.1487
  Dep-P Fr= 1--      0.1299                 0.7500                 0.1482
  Dep-U Fr= 1--      0.2300                 0.8571                 0.2582
 Alpha2 Fr= 1--      0.6809                 0.0000                 1.4619
 Beta2  Fr= 1--      1.6052                 1.5344                 4.0517
 AlphaG Fr= 1--    -51.1959                 0.0000                69.1784
 Gamma2 Fr= 1--    -60.0231                70.9267                38.5696
 Delta2 Fr= 1--      1.9961                 6.0934               -22.3250
 Raman1 Fr= 1--     167.516                 42.963                376.595
 ROA1   Fr= 1--   -5698.344               7003.954               2988.281
 CID1   Fr= 1--     -34.017                163.022                  7.935
 Raman2 Fr= 1--      19.263                 18.413                 48.621
 ROA2   Fr= 1--   -1456.524               1653.493               1104.270
 CID2   Fr= 1--     -75.613                 89.801                 22.712
 Raman3 Fr= 1--      38.526                 36.826                 97.241
 ROA3   Fr= 1--   -5698.344               7003.954               2988.281
 CID3   Fr= 1--    -147.910                190.192                 30.731
 RC180  Fr= 1--      -0.540                  0.714                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.00  -0.02  -0.01    -0.00   0.02   0.02    -0.00   0.01   0.04
     3   7     0.02   0.00   0.03     0.02   0.00  -0.06    -0.00  -0.02   0.02
     4   7    -0.02  -0.00   0.03     0.02   0.00   0.06     0.00   0.02   0.02
     5   7    -0.00   0.02  -0.01    -0.00   0.02  -0.02     0.00  -0.01   0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
     7   1    -0.01   0.02   0.02     0.01  -0.10  -0.10     0.02  -0.16  -0.16
     8   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.02  -0.00
     9   1     0.00   0.06  -0.03     0.00  -0.11   0.07     0.00  -0.14   0.09
    10   6    -0.00  -0.00   0.00    -0.00   0.03  -0.01     0.00   0.02  -0.02
    11   1     0.00  -0.01  -0.01    -0.01   0.06   0.10    -0.01   0.06   0.14
    12   6    -0.00   0.01   0.01     0.00  -0.04  -0.01     0.00  -0.05  -0.02
    13   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.02    -0.00   0.03  -0.02
    14   1     0.06  -0.04  -0.04    -0.00   0.17   0.19    -0.00   0.18   0.15
    15   6    -0.14   0.02  -0.08     0.03  -0.06   0.17    -0.05  -0.06  -0.01
    16   1    -0.12   0.10   0.09     0.06   0.15   0.18    -0.07  -0.24  -0.03
    17   6     0.14  -0.02   0.01    -0.06   0.03  -0.03     0.00   0.05   0.03
    18   1    -0.16   0.12   0.12     0.02  -0.00  -0.01    -0.08   0.08  -0.29
    19   1     0.10  -0.34   0.24    -0.06   0.14  -0.46    -0.02  -0.04  -0.03
    20   6    -0.13   0.01  -0.01     0.00   0.01   0.01    -0.02  -0.05  -0.01
    21   1    -0.10  -0.13   0.27    -0.01  -0.16  -0.13    -0.03  -0.11  -0.03
    22   1     0.18  -0.05  -0.16    -0.02   0.03   0.03     0.02   0.33   0.19
    23   6     0.13  -0.01  -0.01     0.00   0.01  -0.01     0.02   0.05  -0.01
    24   1    -0.18   0.05  -0.16    -0.02   0.03  -0.03    -0.02  -0.33   0.19
    25   1     0.10   0.13   0.27    -0.01  -0.16   0.13     0.03   0.11  -0.03
    26   6    -0.14   0.02   0.01    -0.06   0.03   0.03    -0.00  -0.05   0.03
    27   1    -0.10   0.34   0.24    -0.06   0.14   0.46     0.02   0.04  -0.03
    28   1     0.16  -0.12   0.12     0.02  -0.00   0.01     0.08  -0.08  -0.29
    29   6     0.14  -0.02  -0.08     0.03  -0.06  -0.17     0.05   0.06  -0.01
    30   1     0.12  -0.10   0.09     0.06   0.15  -0.18     0.07   0.24  -0.03
    31   6     0.00  -0.01  -0.00    -0.00  -0.01   0.02     0.00  -0.03  -0.02
    32   1    -0.06   0.04  -0.04    -0.00   0.17  -0.19     0.00  -0.18   0.15
    33   6     0.00  -0.01   0.01     0.00  -0.04   0.01    -0.00   0.05  -0.02
    34   6     0.00   0.00   0.00    -0.00   0.03   0.01    -0.00  -0.02  -0.02
    35   1    -0.00   0.01  -0.01    -0.01   0.06  -0.10     0.01  -0.06   0.14
    36   6    -0.00  -0.00   0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
    37   1    -0.00  -0.06  -0.03     0.00  -0.11  -0.07    -0.00   0.14   0.09
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    39   1     0.01  -0.02   0.02     0.01  -0.10   0.10    -0.02   0.16  -0.16
                     64                     65                     66
                      B                      A                      A
 Frequencies --   1231.3838              1241.1498              1269.4838
 Red. masses --      1.6074                 1.5040                 1.3489
 Frc consts  --      1.4360                 1.3651                 1.2808
 IR Inten    --      0.9850                 6.4924                58.7724
 RamAct Fr= 1--     71.3597                42.8368                43.3059
  Dep-P Fr= 1--      0.7500                 0.3493                 0.1730
  Dep-U Fr= 1--      0.8571                 0.5178                 0.2949
 Alpha2 Fr= 1--      0.0000                 0.3769                 0.6312
 Beta2  Fr= 1--     10.1942                 3.6966                 2.1286
 AlphaG Fr= 1--      0.0000                 7.1487                 1.2654
 Gamma2 Fr= 1--    570.1948               -81.5825                55.6942
 Delta2 Fr= 1--     15.8981                -6.8614                -5.7313
 Raman1 Fr= 1--     285.439                171.347                173.224
 ROA1   Fr= 1--   55247.435              -8051.489               5163.242
 CID1   Fr= 1--     193.553                -46.989                 29.807
 Raman2 Fr= 1--     122.331                 44.359                 25.543
 ROA2   Fr= 1--   13557.490              -1903.090               1382.511
 CID2   Fr= 1--     110.826                -42.902                 54.125
 Raman3 Fr= 1--     244.662                 88.718                 51.086
 ROA3   Fr= 1--   55247.435              -8051.489               5163.242
 CID3   Fr= 1--     225.811                -90.754                101.070
 RC180  Fr= 1--       0.714                  0.036                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.01  -0.01  -0.08     0.00  -0.01  -0.06    -0.00   0.00   0.00
     3   7     0.01   0.02  -0.05     0.01   0.01  -0.04     0.01   0.01   0.01
     4   7     0.01   0.02   0.05    -0.01  -0.01  -0.04    -0.01  -0.01   0.01
     5   7     0.01  -0.01   0.08    -0.00   0.01  -0.06     0.00  -0.00   0.00
     6   6    -0.00  -0.02   0.02     0.00  -0.01   0.01    -0.00   0.01  -0.00
     7   1    -0.03   0.30   0.33    -0.03   0.27   0.28     0.01  -0.06  -0.07
     8   6     0.00  -0.04   0.01     0.00  -0.03   0.00     0.00   0.00  -0.01
     9   1    -0.00   0.28  -0.18    -0.00   0.22  -0.15     0.00  -0.02   0.01
    10   6    -0.00  -0.02   0.03    -0.00  -0.02   0.03    -0.00   0.00  -0.01
    11   1     0.02  -0.11  -0.28     0.02  -0.10  -0.25    -0.00   0.02   0.07
    12   6    -0.01   0.07   0.04    -0.00   0.06   0.03    -0.00  -0.02   0.02
    13   6    -0.00  -0.03   0.02    -0.00  -0.02   0.02    -0.00   0.00  -0.00
    14   1     0.01  -0.14  -0.10     0.01  -0.08  -0.05     0.02  -0.05  -0.06
    15   6     0.01  -0.02   0.04    -0.04  -0.04   0.01    -0.06  -0.00  -0.03
    16   1     0.02   0.05   0.16    -0.06  -0.25   0.09    -0.06  -0.09   0.24
    17   6    -0.02   0.01  -0.00    -0.01   0.04   0.01    -0.02  -0.01  -0.03
    18   1     0.01  -0.01   0.01    -0.04   0.05  -0.20     0.02  -0.03  -0.17
    19   1    -0.02   0.05  -0.11    -0.02   0.01   0.02     0.01   0.03   0.50
    20   6     0.00   0.00   0.00     0.00  -0.04  -0.01     0.09   0.00   0.01
    21   1    -0.00  -0.04  -0.03    -0.00  -0.05  -0.04     0.09   0.27  -0.03
    22   1    -0.01  -0.00   0.00    -0.01   0.19   0.13    -0.09  -0.13  -0.00
    23   6     0.00   0.00  -0.00    -0.00   0.04  -0.01    -0.09  -0.00   0.01
    24   1    -0.01  -0.00  -0.00     0.01  -0.19   0.13     0.09   0.13  -0.00
    25   1    -0.00  -0.04   0.03     0.00   0.05  -0.04    -0.09  -0.27  -0.03
    26   6    -0.02   0.01   0.00     0.01  -0.04   0.01     0.02   0.01  -0.03
    27   1    -0.02   0.05   0.11     0.02  -0.01   0.02    -0.01  -0.03   0.50
    28   1     0.01  -0.01  -0.01     0.04  -0.05  -0.20    -0.02   0.03  -0.17
    29   6     0.01  -0.02  -0.04     0.04   0.04   0.01     0.06   0.00  -0.03
    30   1     0.02   0.05  -0.16     0.06   0.25   0.09     0.06   0.09   0.24
    31   6    -0.00  -0.03  -0.02     0.00   0.02   0.02     0.00  -0.00  -0.00
    32   1     0.01  -0.14   0.10    -0.01   0.08  -0.05    -0.02   0.05  -0.06
    33   6    -0.01   0.07  -0.04     0.00  -0.06   0.03     0.00   0.02   0.02
    34   6    -0.00  -0.02  -0.03     0.00   0.02   0.03     0.00  -0.00  -0.01
    35   1     0.02  -0.11   0.28    -0.02   0.10  -0.25     0.00  -0.02   0.07
    36   6     0.00  -0.04  -0.01    -0.00   0.03   0.00    -0.00  -0.00  -0.01
    37   1    -0.00   0.28   0.18     0.00  -0.22  -0.15    -0.00   0.02   0.01
    38   6    -0.00  -0.02  -0.02    -0.00   0.01   0.01     0.00  -0.01  -0.00
    39   1    -0.03   0.30  -0.33     0.03  -0.27   0.28    -0.01   0.06  -0.07
                     67                     68                     69
                      B                      B                      A
 Frequencies --   1270.9014              1291.2566              1297.8477
 Red. masses --      1.2804                 1.5055                 1.5203
 Frc consts  --      1.2185                 1.4790                 1.5088
 IR Inten    --     24.1828                88.2474                63.4680
 RamAct Fr= 1--      9.4628               187.6671               407.3166
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0928
  Dep-U Fr= 1--      0.8571                 0.8571                 0.1698
 Alpha2 Fr= 1--      0.0000                 0.0000                 7.2583
 Beta2  Fr= 1--      1.3518                26.8096                11.5279
 AlphaG Fr= 1--     -0.0000                -0.0000               451.0248
 Gamma2 Fr= 1--     91.7639               769.2643               633.0551
 Delta2 Fr= 1--     12.0856                74.0962               -25.7290
 Raman1 Fr= 1--      37.851                750.669               1629.266
 ROA1   Fr= 1--    9196.070              76220.452              59949.956
 CID1   Fr= 1--     242.952                101.537                 36.796
 Raman2 Fr= 1--      16.222                321.715                138.334
 ROA2   Fr= 1--    2105.648              17869.574              15399.153
 CID2   Fr= 1--     129.802                 55.545                111.318
 Raman3 Fr= 1--      32.444                643.430                276.668
 ROA3   Fr= 1--    9196.070              76220.452              59949.956
 CID3   Fr= 1--     283.444                118.460                216.685
 RC180  Fr= 1--       0.714                  0.714                 -0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.00  -0.00  -0.01     0.00  -0.01  -0.03     0.00  -0.02  -0.05
     3   7     0.02   0.01   0.01    -0.00  -0.07   0.01     0.00  -0.06   0.02
     4   7     0.02   0.01  -0.01    -0.00  -0.07  -0.01    -0.00   0.06   0.02
     5   7     0.00  -0.00   0.01     0.00  -0.01   0.03    -0.00   0.02  -0.05
     6   6    -0.00   0.01   0.01     0.00  -0.05   0.03    -0.00  -0.04   0.04
     7   1     0.00  -0.03  -0.02    -0.02   0.14   0.22    -0.02   0.13   0.21
     8   6    -0.00  -0.00   0.01    -0.00   0.01   0.04    -0.00   0.01   0.05
     9   1     0.00   0.02  -0.00    -0.00   0.04   0.03    -0.00   0.06   0.03
    10   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.02
    11   1    -0.00   0.03   0.05     0.01  -0.01  -0.11     0.00   0.02  -0.05
    12   6    -0.00  -0.01   0.01     0.00   0.03  -0.08     0.00   0.02  -0.08
    13   6     0.00  -0.01  -0.01     0.00   0.01  -0.02     0.00  -0.00  -0.02
    14   1     0.02   0.00   0.00    -0.03   0.40   0.43    -0.03   0.41   0.45
    15   6    -0.03  -0.02  -0.01    -0.01   0.02   0.02    -0.00   0.01   0.01
    16   1     0.03   0.35   0.21    -0.02   0.02  -0.17     0.01   0.11  -0.01
    17   6     0.05   0.01  -0.05     0.02  -0.01  -0.00     0.01  -0.01  -0.01
    18   1    -0.05   0.05   0.32    -0.02   0.01  -0.03     0.01  -0.01  -0.04
    19   1     0.04  -0.11  -0.04     0.02  -0.04   0.04     0.01  -0.01   0.12
    20   6    -0.04  -0.01   0.04    -0.01  -0.00  -0.01     0.02   0.01   0.00
    21   1    -0.03   0.27   0.22    -0.00   0.08   0.07     0.02   0.09   0.01
    22   1    -0.04  -0.24  -0.10     0.02  -0.02  -0.03    -0.01  -0.06  -0.03
    23   6    -0.04  -0.01  -0.04    -0.01  -0.00   0.01    -0.02  -0.01   0.00
    24   1    -0.04  -0.24   0.10     0.02  -0.02   0.03     0.01   0.06  -0.03
    25   1    -0.03   0.27  -0.22    -0.00   0.08  -0.07    -0.02  -0.09   0.01
    26   6     0.05   0.01   0.05     0.02  -0.01   0.00    -0.01   0.01  -0.01
    27   1     0.04  -0.11   0.04     0.02  -0.04  -0.04    -0.01   0.01   0.12
    28   1    -0.05   0.05  -0.32    -0.02   0.01   0.03    -0.01   0.01  -0.04
    29   6    -0.03  -0.02   0.01    -0.01   0.02  -0.02     0.00  -0.01   0.01
    30   1     0.03   0.35  -0.21    -0.02   0.02   0.17    -0.01  -0.11  -0.01
    31   6     0.00  -0.01   0.01     0.00   0.01   0.02    -0.00   0.00  -0.02
    32   1     0.02   0.00  -0.00    -0.03   0.40  -0.43     0.03  -0.41   0.45
    33   6    -0.00  -0.01  -0.01     0.00   0.03   0.08    -0.00  -0.02  -0.08
    34   6    -0.00   0.01   0.01    -0.00   0.01   0.00     0.00  -0.03  -0.02
    35   1    -0.00   0.03  -0.05     0.01  -0.01   0.11    -0.00  -0.02  -0.05
    36   6    -0.00  -0.00  -0.01    -0.00   0.01  -0.04     0.00  -0.01   0.05
    37   1     0.00   0.02   0.00    -0.00   0.04  -0.03     0.00  -0.06   0.03
    38   6    -0.00   0.01  -0.01     0.00  -0.05  -0.03     0.00   0.04   0.04
    39   1     0.00  -0.03   0.02    -0.02   0.14  -0.22     0.02  -0.13   0.21
                     70                     71                     72
                      B                      A                      B
 Frequencies --   1310.3522              1321.9010              1325.6541
 Red. masses --      2.0136                 4.0998                 1.6353
 Frc consts  --      2.0370                 4.2209                 1.6932
 IR Inten    --     19.9305               249.3073                 0.4718
 RamAct Fr= 1--      0.0627               293.2251                 7.4142
  Dep-P Fr= 1--      0.7500                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0000
 Beta2  Fr= 1--      0.0090                41.8801                 1.0592
 AlphaG Fr= 1--      0.0000                -0.9644                -0.0000
 Gamma2 Fr= 1--    -19.9058              -469.0662                -7.9901
 Delta2 Fr= 1--     -1.8892               -52.4896                22.0147
 Raman1 Fr= 1--       0.251               1172.901                 29.657
 ROA1   Fr= 1--   -1971.409             -46710.018                -62.577
 CID1   Fr= 1--   -7857.764                -39.824                 -2.110
 Raman2 Fr= 1--       0.108                502.561                 12.710
 ROA2   Fr= 1--    -462.625             -10837.671               -367.880
 CID2   Fr= 1--   -4302.575                -21.565                -28.944
 Raman3 Fr= 1--       0.215               1005.123                 25.420
 ROA3   Fr= 1--   -1971.409             -46710.018                -62.577
 CID3   Fr= 1--   -9167.391                -46.472                 -2.462
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     2   7    -0.01  -0.01   0.10    -0.01  -0.04   0.20     0.00  -0.01  -0.07
     3   7    -0.01  -0.00  -0.02    -0.00  -0.03  -0.03    -0.01   0.00   0.03
     4   7    -0.01  -0.00   0.02     0.00   0.03  -0.03    -0.01   0.00  -0.03
     5   7    -0.01  -0.01  -0.10     0.01   0.04   0.20     0.00  -0.01   0.07
     6   6     0.00  -0.01  -0.06     0.01  -0.03  -0.12    -0.00   0.00   0.05
     7   1     0.00   0.02  -0.04     0.00   0.02  -0.08    -0.00  -0.01   0.05
     8   6     0.00   0.01  -0.03     0.00   0.03  -0.04    -0.00  -0.00   0.04
     9   1     0.00  -0.06   0.01     0.00  -0.12   0.04    -0.00   0.03   0.03
    10   6     0.00  -0.06   0.03     0.00  -0.11   0.05     0.00   0.03  -0.04
    11   1     0.02  -0.12  -0.16     0.02  -0.20  -0.25    -0.01   0.08   0.12
    12   6    -0.00   0.10  -0.05    -0.00   0.19  -0.12     0.00  -0.04  -0.00
    13   6    -0.00  -0.00   0.04    -0.01   0.01   0.06     0.00  -0.01  -0.01
    14   1    -0.00  -0.09  -0.06    -0.00   0.04   0.09    -0.01   0.04   0.05
    15   6     0.04   0.05   0.05    -0.04   0.03   0.04     0.05   0.06  -0.03
    16   1    -0.02  -0.35  -0.16    -0.08  -0.24  -0.31    -0.00  -0.41   0.23
    17   6     0.01  -0.02  -0.02     0.02  -0.01   0.01    -0.05  -0.01  -0.06
    18   1     0.03  -0.02   0.34    -0.03   0.01  -0.14     0.06  -0.06   0.42
    19   1     0.00  -0.01  -0.25     0.02  -0.02   0.08    -0.03   0.08   0.01
    20   6    -0.03   0.01   0.03     0.02   0.02  -0.00     0.01  -0.01   0.03
    21   1    -0.02   0.11   0.11     0.03   0.13   0.03    -0.00  -0.09  -0.08
    22   1    -0.03  -0.20  -0.09     0.00  -0.14  -0.09    -0.04   0.04   0.07
    23   6    -0.03   0.01  -0.03    -0.02  -0.02  -0.00     0.01  -0.01  -0.03
    24   1    -0.03  -0.20   0.09    -0.00   0.14  -0.09    -0.04   0.04  -0.07
    25   1    -0.02   0.11  -0.11    -0.03  -0.13   0.03    -0.00  -0.09   0.08
    26   6     0.01  -0.02   0.02    -0.02   0.01   0.01    -0.05  -0.01   0.06
    27   1     0.00  -0.01   0.25    -0.02   0.02   0.08    -0.03   0.08  -0.01
    28   1     0.03  -0.02  -0.34     0.03  -0.01  -0.14     0.06  -0.06  -0.42
    29   6     0.04   0.05  -0.05     0.04  -0.03   0.04     0.05   0.06   0.03
    30   1    -0.02  -0.35   0.16     0.08   0.24  -0.31    -0.00  -0.41  -0.23
    31   6    -0.00  -0.00  -0.04     0.01  -0.01   0.06     0.00  -0.01   0.01
    32   1    -0.00  -0.09   0.06     0.00  -0.04   0.09    -0.01   0.04  -0.05
    33   6    -0.00   0.10   0.05     0.00  -0.19  -0.12     0.00  -0.04   0.00
    34   6     0.00  -0.06  -0.03    -0.00   0.11   0.05     0.00   0.03   0.04
    35   1     0.02  -0.12   0.16    -0.02   0.20  -0.25    -0.01   0.08  -0.12
    36   6     0.00   0.01   0.03    -0.00  -0.03  -0.04    -0.00  -0.00  -0.04
    37   1     0.00  -0.06  -0.01    -0.00   0.12   0.04    -0.00   0.03  -0.03
    38   6     0.00  -0.01   0.06    -0.01   0.03  -0.12    -0.00   0.00  -0.05
    39   1     0.00   0.02   0.04    -0.00  -0.02  -0.08    -0.00  -0.01  -0.05
                     73                     74                     75
                      B                      A                      B
 Frequencies --   1336.0627              1344.5792              1358.8059
 Red. masses --      1.8797                 1.6247                 2.9826
 Frc consts  --      1.9770                 1.7306                 3.2446
 IR Inten    --      0.1302                23.1500                 2.2392
 RamAct Fr= 1--     51.2275               207.3628                84.6548
  Dep-P Fr= 1--      0.7500                 0.1553                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2688                 0.8571
 Alpha2 Fr= 1--      0.0000                 3.1630                 0.0000
 Beta2  Fr= 1--      7.3182                 9.2900                12.0935
 AlphaG Fr= 1--     -0.0000               -75.4759                -0.0000
 Gamma2 Fr= 1--     -8.3296               173.5864               868.6372
 Delta2 Fr= 1--      4.3754               -20.4476                53.0962
 Raman1 Fr= 1--     204.910                829.451                338.619
 ROA1   Fr= 1--    -659.626              16009.974              85088.255
 CID1   Fr= 1--      -3.219                 19.302                251.280
 Raman2 Fr= 1--      87.819                111.480                145.122
 ROA2   Fr= 1--    -234.913               4329.656              20422.524
 CID2   Fr= 1--      -2.675                 38.838                140.726
 Raman3 Fr= 1--     175.637                222.959                290.245
 ROA3   Fr= 1--    -659.626              16009.974              85088.255
 CID3   Fr= 1--      -3.756                 71.807                293.160
 RC180  Fr= 1--       0.714                 -0.462                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.00  -0.05   0.07     0.00  -0.05   0.03    -0.01   0.08   0.04
     3   7     0.02   0.01  -0.01     0.01   0.02   0.00     0.01  -0.06   0.00
     4   7     0.02   0.01   0.01    -0.01  -0.02   0.00     0.01  -0.06  -0.00
     5   7    -0.00  -0.05  -0.07    -0.00   0.05   0.03    -0.01   0.08  -0.04
     6   6     0.00   0.00  -0.04    -0.00   0.01  -0.01     0.00  -0.04  -0.05
     7   1     0.00  -0.03  -0.06     0.00  -0.05  -0.06    -0.01   0.09   0.07
     8   6    -0.00   0.00   0.02    -0.00  -0.00   0.04     0.01   0.02  -0.12
     9   1     0.00  -0.01   0.03    -0.00  -0.00   0.04     0.01  -0.04  -0.10
    10   6     0.00  -0.04  -0.03     0.00  -0.03  -0.06    -0.01   0.02   0.16
    11   1     0.00  -0.04  -0.01    -0.00   0.01   0.08     0.02  -0.11  -0.29
    12   6    -0.00   0.11  -0.07    -0.00   0.08  -0.05    -0.00  -0.09   0.06
    13   6    -0.00  -0.03   0.03    -0.00  -0.03   0.03     0.00   0.05  -0.08
    14   1     0.01   0.04   0.11     0.01  -0.01   0.05     0.01   0.11  -0.02
    15   6    -0.02  -0.03  -0.03     0.02   0.00  -0.04    -0.01   0.01   0.03
    16   1     0.02   0.20   0.40     0.05   0.05   0.48    -0.01   0.06   0.01
    17   6    -0.03   0.01  -0.05    -0.04   0.01  -0.05    -0.01   0.00  -0.10
    18   1    -0.01   0.00   0.06     0.02  -0.01   0.30    -0.02   0.01   0.26
    19   1    -0.02   0.07   0.34    -0.03   0.06   0.05     0.01   0.04   0.40
    20   6     0.03  -0.01   0.01    -0.02  -0.03   0.01     0.02  -0.01   0.02
    21   1     0.02  -0.16  -0.17    -0.03  -0.20  -0.07     0.01  -0.08  -0.13
    22   1    -0.01   0.19   0.15    -0.03   0.22   0.17    -0.01   0.12   0.11
    23   6     0.03  -0.01  -0.01     0.02   0.03   0.01     0.02  -0.01  -0.02
    24   1    -0.01   0.19  -0.15     0.03  -0.22   0.17    -0.01   0.12  -0.11
    25   1     0.02  -0.16   0.17     0.03   0.20  -0.07     0.01  -0.08   0.13
    26   6    -0.03   0.01   0.05     0.04  -0.01  -0.05    -0.01   0.00   0.10
    27   1    -0.02   0.07  -0.34     0.03  -0.06   0.05     0.01   0.04  -0.40
    28   1    -0.01   0.00  -0.06    -0.02   0.01   0.30    -0.02   0.01  -0.26
    29   6    -0.02  -0.03   0.03    -0.02  -0.00  -0.04    -0.01   0.01  -0.03
    30   1     0.02   0.20  -0.40    -0.05  -0.05   0.48    -0.01   0.06  -0.01
    31   6    -0.00  -0.03  -0.03     0.00   0.03   0.03     0.00   0.05   0.08
    32   1     0.01   0.04  -0.11    -0.01   0.01   0.05     0.01   0.11   0.02
    33   6    -0.00   0.11   0.07     0.00  -0.08  -0.05    -0.00  -0.09  -0.06
    34   6     0.00  -0.04   0.03    -0.00   0.03  -0.06    -0.01   0.02  -0.16
    35   1     0.00  -0.04   0.01     0.00  -0.01   0.08     0.02  -0.11   0.29
    36   6    -0.00   0.00  -0.02     0.00   0.00   0.04     0.01   0.02   0.12
    37   1     0.00  -0.01  -0.03     0.00   0.00   0.04     0.01  -0.04   0.10
    38   6     0.00   0.00   0.04     0.00  -0.01  -0.01     0.00  -0.04   0.05
    39   1     0.00  -0.03   0.06    -0.00   0.05  -0.06    -0.01   0.09  -0.07
                     76                     77                     78
                      A                      A                      B
 Frequencies --   1362.1861              1375.4313              1378.1486
 Red. masses --      2.0568                 1.4293                 1.4166
 Frc consts  --      2.2486                 1.5931                 1.5853
 IR Inten    --      6.6568                15.2305                 1.9715
 RamAct Fr= 1--    235.5896                37.6057                 0.5743
  Dep-P Fr= 1--      0.6834                 0.5666                 0.7500
  Dep-U Fr= 1--      0.8120                 0.7233                 0.8571
 Alpha2 Fr= 1--      0.2760                 0.1305                 0.0000
 Beta2  Fr= 1--     31.8817                 4.5335                 0.0820
 AlphaG Fr= 1--     -8.5823               -10.0831                 0.0000
 Gamma2 Fr= 1--   -405.8130              -310.9561                -7.1771
 Delta2 Fr= 1--    -43.5427                -3.8492                -0.5212
 Raman1 Fr= 1--     942.359                150.423                  2.297
 ROA1   Fr= 1--  -40351.411             -29974.963               -705.684
 CID1   Fr= 1--     -42.820               -199.271               -307.181
 Raman2 Fr= 1--     382.580                 54.402                  0.985
 ROA2   Fr= 1--   -9391.170              -7432.153               -168.082
 CID2   Fr= 1--     -24.547               -136.615               -170.719
 Raman3 Fr= 1--     765.160                108.804                  1.969
 ROA3   Fr= 1--  -40351.411             -29974.963               -705.684
 CID3   Fr= 1--     -52.736               -275.495               -358.378
 RC180  Fr= 1--       0.624                  0.447                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.05    -0.00   0.02   0.03    -0.00   0.00   0.01
     3   7     0.01  -0.03  -0.01     0.01  -0.02   0.01     0.00  -0.00  -0.00
     4   7    -0.01   0.03  -0.01    -0.01   0.02   0.01     0.00  -0.00   0.00
     5   7     0.00  -0.05   0.05     0.00  -0.02   0.03    -0.00   0.00  -0.01
     6   6     0.00  -0.03  -0.05     0.00  -0.01  -0.03     0.00   0.00  -0.01
     7   1    -0.01   0.06   0.03    -0.00   0.02   0.00     0.00  -0.00  -0.01
     8   6     0.00   0.01  -0.08     0.00   0.01  -0.04     0.00  -0.00  -0.01
     9   1     0.00  -0.02  -0.08     0.00  -0.01  -0.03     0.00   0.00  -0.01
    10   6    -0.01   0.01   0.12    -0.00   0.00   0.05    -0.00  -0.00   0.01
    11   1     0.02  -0.09  -0.23     0.01  -0.04  -0.10     0.00  -0.01  -0.03
    12   6    -0.00  -0.04   0.03    -0.00  -0.01   0.01    -0.00   0.00   0.00
    13   6     0.00   0.02  -0.06     0.00   0.01  -0.03     0.00   0.00  -0.01
    14   1     0.01   0.11   0.04     0.01   0.08   0.05     0.00   0.02   0.01
    15   6     0.01  -0.06   0.03     0.01   0.02  -0.05     0.01  -0.00  -0.01
    16   1     0.08   0.42   0.08     0.04   0.04   0.40     0.01  -0.04   0.10
    17   6    -0.01   0.02  -0.07    -0.00   0.01   0.06     0.00   0.03   0.02
    18   1    -0.00   0.02   0.11     0.05  -0.02   0.02    -0.03   0.04   0.10
    19   1    -0.00   0.00   0.27    -0.02  -0.04  -0.33    -0.01   0.00  -0.18
    20   6    -0.00   0.01   0.02     0.00  -0.06  -0.03    -0.02  -0.09  -0.09
    21   1    -0.02  -0.21  -0.12     0.03   0.37   0.20     0.01   0.31   0.24
    22   1    -0.01   0.14   0.11    -0.01  -0.03  -0.01     0.05   0.47   0.21
    23   6     0.00  -0.01   0.02    -0.00   0.06  -0.03    -0.02  -0.09   0.09
    24   1     0.01  -0.14   0.11     0.01   0.03  -0.01     0.05   0.47  -0.21
    25   1     0.02   0.21  -0.12    -0.03  -0.37   0.20     0.01   0.31  -0.24
    26   6     0.01  -0.02  -0.07     0.00  -0.01   0.06     0.00   0.03  -0.02
    27   1     0.00  -0.00   0.27     0.02   0.04  -0.33    -0.01   0.00   0.18
    28   1     0.00  -0.02   0.11    -0.05   0.02   0.02    -0.03   0.04  -0.10
    29   6    -0.01   0.06   0.03    -0.01  -0.02  -0.05     0.01  -0.00   0.01
    30   1    -0.08  -0.42   0.08    -0.04  -0.04   0.40     0.01  -0.04  -0.10
    31   6    -0.00  -0.02  -0.06    -0.00  -0.01  -0.03     0.00   0.00   0.01
    32   1    -0.01  -0.11   0.04    -0.01  -0.08   0.05     0.00   0.02  -0.01
    33   6     0.00   0.04   0.03     0.00   0.01   0.01    -0.00   0.00  -0.00
    34   6     0.01  -0.01   0.12     0.00  -0.00   0.05    -0.00  -0.00  -0.01
    35   1    -0.02   0.09  -0.23    -0.01   0.04  -0.10     0.00  -0.01   0.03
    36   6    -0.00  -0.01  -0.08    -0.00  -0.01  -0.04     0.00  -0.00   0.01
    37   1    -0.00   0.02  -0.08    -0.00   0.01  -0.03     0.00   0.00   0.01
    38   6    -0.00   0.03  -0.05    -0.00   0.01  -0.03     0.00   0.00   0.01
    39   1     0.01  -0.06   0.03     0.00  -0.02   0.00     0.00  -0.00   0.01
                     79                     80                     81
                      A                      A                      B
 Frequencies --   1385.5493              1392.5352              1395.9440
 Red. masses --      1.7653                 1.4643                 1.6757
 Frc consts  --      1.9968                 1.6730                 1.9239
 IR Inten    --     29.8732                25.7105                15.2586
 RamAct Fr= 1--     63.2829                55.2808                 4.0490
  Dep-P Fr= 1--      0.1582                 0.1695                 0.7500
  Dep-U Fr= 1--      0.2732                 0.2899                 0.8571
 Alpha2 Fr= 1--      0.9581                 0.8129                 0.0000
 Beta2  Fr= 1--      2.8815                 2.6712                 0.5784
 AlphaG Fr= 1--     30.7051               -12.8068                 0.0000
 Gamma2 Fr= 1--     78.5665                68.3311                 7.2741
 Delta2 Fr= 1--    -10.6262                -9.0197                 5.5982
 Raman1 Fr= 1--     253.132                221.123                 16.196
 ROA1   Fr= 1--    7202.351               6271.155                877.453
 CID1   Fr= 1--      28.453                 28.360                 54.177
 Raman2 Fr= 1--      34.578                 32.055                  6.941
 ROA2   Fr= 1--    1970.606               1712.104                129.792
 CID2   Fr= 1--      56.990                 53.412                 18.699
 Raman3 Fr= 1--      69.156                 64.110                 13.882
 ROA3   Fr= 1--    7202.351               6271.155                877.453
 CID3   Fr= 1--     104.147                 97.819                 63.206
 RC180  Fr= 1--      -0.454                 -0.420                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   7     0.00  -0.03   0.00     0.00   0.01  -0.01    -0.00   0.01   0.03
     3   7     0.00   0.03  -0.02    -0.01  -0.00   0.00     0.01  -0.02   0.02
     4   7    -0.00  -0.03  -0.02     0.01   0.00   0.00     0.01  -0.02  -0.02
     5   7    -0.00   0.03   0.00    -0.00  -0.01  -0.01    -0.00   0.01  -0.03
     6   6    -0.00   0.03   0.00     0.00  -0.01   0.01     0.00  -0.01  -0.03
     7   1     0.01  -0.04  -0.07    -0.00   0.02   0.04    -0.00   0.02   0.00
     8   6    -0.00  -0.03   0.03    -0.00   0.01  -0.01     0.00   0.01  -0.03
     9   1    -0.00   0.05  -0.01    -0.00  -0.03   0.02     0.00   0.00  -0.03
    10   6     0.00  -0.01  -0.05    -0.00   0.00   0.01    -0.00   0.01   0.05
    11   1    -0.00   0.02   0.06    -0.00   0.00   0.01     0.01  -0.04  -0.10
    12   6    -0.00   0.04   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    13   6    -0.00  -0.02   0.03     0.00   0.00  -0.00     0.00  -0.00  -0.04
    14   1     0.00  -0.07  -0.03    -0.01  -0.03  -0.04     0.01   0.13   0.11
    15   6     0.00  -0.13   0.03     0.01   0.04   0.04     0.01   0.03  -0.11
    16   1     0.08   0.52  -0.15    -0.03  -0.18  -0.25     0.02  -0.07   0.50
    17   6     0.02   0.04   0.00     0.01   0.02  -0.07    -0.02  -0.01   0.08
    18   1     0.01   0.04  -0.14    -0.03   0.05   0.41     0.05  -0.05  -0.18
    19   1     0.00  -0.14   0.00     0.01  -0.02   0.14    -0.02  -0.00  -0.30
    20   6     0.01  -0.05  -0.01    -0.00  -0.10  -0.01    -0.00   0.03  -0.00
    21   1     0.03   0.31   0.10     0.01   0.32   0.16    -0.00  -0.07   0.05
    22   1     0.03   0.04   0.03    -0.02   0.19   0.17    -0.06  -0.17  -0.09
    23   6    -0.01   0.05  -0.01     0.00   0.10  -0.01    -0.00   0.03   0.00
    24   1    -0.03  -0.04   0.03     0.02  -0.19   0.17    -0.06  -0.17   0.09
    25   1    -0.03  -0.31   0.10    -0.01  -0.32   0.16    -0.00  -0.07  -0.05
    26   6    -0.02  -0.04   0.00    -0.01  -0.02  -0.07    -0.02  -0.01  -0.08
    27   1    -0.00   0.14   0.00    -0.01   0.02   0.14    -0.02  -0.00   0.30
    28   1    -0.01  -0.04  -0.14     0.03  -0.05   0.41     0.05  -0.05   0.18
    29   6    -0.00   0.13   0.03    -0.01  -0.04   0.04     0.01   0.03   0.11
    30   1    -0.08  -0.52  -0.15     0.03   0.18  -0.25     0.02  -0.07  -0.50
    31   6     0.00   0.02   0.03    -0.00  -0.00  -0.00     0.00  -0.00   0.04
    32   1    -0.00   0.07  -0.03     0.01   0.03  -0.04     0.01   0.13  -0.11
    33   6     0.00  -0.04   0.00    -0.00   0.02  -0.00    -0.00  -0.01  -0.00
    34   6    -0.00   0.01  -0.05     0.00  -0.00   0.01    -0.00   0.01  -0.05
    35   1     0.00  -0.02   0.06     0.00  -0.00   0.01     0.01  -0.04   0.10
    36   6     0.00   0.03   0.03     0.00  -0.01  -0.01     0.00   0.01   0.03
    37   1     0.00  -0.05  -0.01     0.00   0.03   0.02     0.00   0.00   0.03
    38   6     0.00  -0.03   0.00    -0.00   0.01   0.01     0.00  -0.01   0.03
    39   1    -0.01   0.04  -0.07     0.00  -0.02   0.04    -0.00   0.02  -0.00
                     82                     83                     84
                      B                      A                      A
 Frequencies --   1420.9502              1425.6335              1490.8993
 Red. masses --      2.8194                 2.7698                 1.0922
 Frc consts  --      3.3540                 3.3168                 1.4303
 IR Inten    --      0.3991                62.8892                 1.9131
 RamAct Fr= 1--     11.0325               245.7327                12.6369
  Dep-P Fr= 1--      0.7500                 0.7062                 0.4674
  Dep-U Fr= 1--      0.8571                 0.8278                 0.6371
 Alpha2 Fr= 1--      0.0000                 0.1867                 0.0721
 Beta2  Fr= 1--      1.5761                33.9045                 1.3417
 AlphaG Fr= 1--      0.0000                25.5248                -1.9682
 Gamma2 Fr= 1--    241.2146              -712.7522                 7.1882
 Delta2 Fr= 1--     15.2321                -9.0907                -1.7645
 Raman1 Fr= 1--      44.130                982.931                 50.547
 ROA1   Fr= 1--   23644.026             -68715.110                633.601
 CID1   Fr= 1--     535.783                -69.908                 12.535
 Raman2 Fr= 1--      18.913                406.854                 16.101
 ROA2   Fr= 1--    5667.292             -17033.326                186.633
 CID2   Fr= 1--     299.654                -41.866                 11.592
 Raman3 Fr= 1--      37.826                813.708                 32.202
 ROA3   Fr= 1--   23644.026             -68715.110                633.601
 CID3   Fr= 1--     625.080                -84.447                 19.676
 RC180  Fr= 1--       0.714                  0.656                  0.274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.04  -0.05     0.00   0.04  -0.05    -0.00   0.00   0.00
     3   7     0.01   0.04  -0.01     0.01   0.04  -0.01    -0.00   0.00   0.00
     4   7     0.01   0.04   0.01    -0.01  -0.04  -0.01     0.00  -0.00   0.00
     5   7     0.00   0.04   0.05    -0.00  -0.04  -0.05     0.00  -0.00   0.00
     6   6     0.00  -0.14   0.04     0.00  -0.15   0.04     0.00  -0.00  -0.00
     7   1    -0.02   0.09   0.30    -0.02   0.11   0.30    -0.00   0.01   0.00
     8   6    -0.01   0.19  -0.05    -0.01   0.19  -0.04    -0.00  -0.00   0.00
     9   1    -0.00  -0.37   0.30    -0.00  -0.35   0.29    -0.00   0.01  -0.00
    10   6     0.00  -0.07   0.01     0.00  -0.07   0.00    -0.00   0.00   0.00
    11   1    -0.01  -0.03   0.18    -0.01  -0.02   0.18     0.00   0.00  -0.00
    12   6     0.00  -0.01  -0.06     0.00  -0.01  -0.05     0.00  -0.00  -0.00
    13   6    -0.01  -0.00   0.06    -0.01  -0.01   0.06     0.00  -0.00  -0.00
    14   1     0.02  -0.18  -0.14     0.02  -0.18  -0.13     0.00   0.00   0.00
    15   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.02  -0.00
    16   1     0.01   0.04   0.08     0.02   0.12   0.07    -0.01  -0.06   0.01
    17   6    -0.00   0.01   0.01    -0.00   0.01   0.01    -0.02   0.03  -0.00
    18   1    -0.00   0.01  -0.02     0.02  -0.00  -0.07     0.31  -0.14   0.01
    19   1    -0.00  -0.00  -0.02    -0.01  -0.04  -0.03    -0.06  -0.32   0.02
    20   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.04
    21   1     0.00   0.00   0.01     0.00   0.00  -0.01    -0.04   0.14  -0.34
    22   1    -0.00   0.02   0.01     0.01  -0.00  -0.01     0.35   0.05  -0.10
    23   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.04
    24   1    -0.00   0.02  -0.01    -0.01   0.00  -0.01    -0.35  -0.05  -0.10
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.04  -0.14  -0.34
    26   6    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.02  -0.03  -0.00
    27   1    -0.00  -0.00   0.02     0.01   0.04  -0.03     0.06   0.32   0.02
    28   1    -0.00   0.01   0.02    -0.02   0.00  -0.07    -0.31   0.14   0.01
    29   6    -0.00  -0.02   0.01     0.00   0.04  -0.01     0.00  -0.02  -0.00
    30   1     0.01   0.04  -0.08    -0.02  -0.12   0.07     0.01   0.06   0.01
    31   6    -0.01  -0.00  -0.06     0.01   0.01   0.06    -0.00   0.00  -0.00
    32   1     0.02  -0.18   0.14    -0.02   0.18  -0.13    -0.00  -0.00   0.00
    33   6     0.00  -0.01   0.06    -0.00   0.01  -0.05    -0.00   0.00  -0.00
    34   6     0.00  -0.07  -0.01    -0.00   0.07   0.00     0.00  -0.00   0.00
    35   1    -0.01  -0.03  -0.18     0.01   0.02   0.18    -0.00  -0.00  -0.00
    36   6    -0.01   0.19   0.05     0.01  -0.19  -0.04     0.00   0.00   0.00
    37   1    -0.00  -0.37  -0.30     0.00   0.35   0.29     0.00  -0.01  -0.00
    38   6     0.00  -0.14  -0.04    -0.00   0.15   0.04    -0.00   0.00  -0.00
    39   1    -0.02   0.09  -0.30     0.02  -0.11   0.30     0.00  -0.01   0.00
                     85                     86                     87
                      B                      B                      B
 Frequencies --   1491.7337              1496.8531              1497.6751
 Red. masses --      1.0900                 1.9319                 1.4913
 Frc consts  --      1.4291                 2.5503                 1.9708
 IR Inten    --      4.5796                48.3260                12.6973
 RamAct Fr= 1--     13.8079                 0.8040                 1.8845
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.9726                 0.1149                 0.2692
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      3.0822               -32.6208               -11.0179
 Delta2 Fr= 1--     -1.0239                -0.7845                 0.6764
 Raman1 Fr= 1--      55.232                  3.216                  7.538
 ROA1   Fr= 1--     263.125              -3156.702              -1036.076
 CID1   Fr= 1--       4.764               -981.565               -137.447
 Raman2 Fr= 1--      23.671                  1.378                  3.231
 ROA2   Fr= 1--      82.163               -776.623               -269.842
 CID2   Fr= 1--       3.471               -563.472                -83.527
 Raman3 Fr= 1--      47.341                  2.757                  6.461
 ROA3   Fr= 1--     263.125              -3156.702              -1036.076
 CID3   Fr= 1--       5.558              -1145.159               -160.355
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7    -0.00   0.00   0.00     0.01  -0.05  -0.06    -0.00   0.04   0.04
     3   7     0.00   0.00   0.00     0.00  -0.04  -0.02    -0.00   0.02   0.01
     4   7     0.00   0.00  -0.00     0.00  -0.04   0.02    -0.00   0.02  -0.01
     5   7    -0.00   0.00  -0.00     0.01  -0.05   0.06    -0.00   0.04  -0.04
     6   6     0.00  -0.00  -0.00    -0.01   0.07   0.10     0.01  -0.05  -0.07
     7   1    -0.00   0.01   0.01     0.02  -0.22  -0.17    -0.01   0.16   0.12
     8   6    -0.00   0.00   0.00     0.00   0.02  -0.08    -0.00  -0.01   0.05
     9   1    -0.00   0.00  -0.00     0.01  -0.17   0.02    -0.00   0.12  -0.02
    10   6    -0.00   0.00   0.00    -0.00  -0.04   0.04     0.00   0.03  -0.03
    11   1     0.00   0.00  -0.00     0.01  -0.08  -0.05    -0.01   0.05   0.04
    12   6     0.00  -0.00  -0.00    -0.00   0.06   0.03     0.00  -0.04  -0.02
    13   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    14   1    -0.00   0.00   0.00    -0.01   0.07   0.05    -0.00  -0.04  -0.04
    15   6     0.00   0.00  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    16   1    -0.00  -0.01   0.04     0.00  -0.01   0.02     0.01  -0.01  -0.01
    17   6     0.00  -0.01   0.01     0.02  -0.05   0.00     0.03  -0.05   0.00
    18   1    -0.07   0.02  -0.00    -0.37   0.15   0.01    -0.41   0.17   0.00
    19   1     0.01   0.08  -0.05     0.07   0.41  -0.02     0.08   0.45  -0.02
    20   6    -0.03  -0.02   0.04     0.00   0.00  -0.00     0.01   0.00  -0.00
    21   1    -0.05   0.26  -0.41     0.01  -0.03   0.05     0.01  -0.04   0.08
    22   1     0.47   0.04  -0.15    -0.05  -0.03   0.01    -0.08  -0.02   0.02
    23   6    -0.03  -0.02  -0.04     0.00   0.00   0.00     0.01   0.00   0.00
    24   1     0.47   0.04   0.15    -0.05  -0.03  -0.01    -0.08  -0.02  -0.02
    25   1    -0.05   0.26   0.41     0.01  -0.03  -0.05     0.01  -0.04  -0.08
    26   6     0.00  -0.01  -0.01     0.02  -0.05  -0.00     0.03  -0.05  -0.00
    27   1     0.01   0.08   0.05     0.07   0.41   0.02     0.08   0.45   0.02
    28   1    -0.07   0.02   0.00    -0.37   0.15  -0.01    -0.41   0.17  -0.00
    29   6     0.00   0.00   0.01     0.00   0.01   0.00     0.00  -0.01   0.01
    30   1    -0.00  -0.01  -0.04     0.00  -0.01  -0.02     0.01  -0.01   0.01
    31   6     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    32   1    -0.00   0.00  -0.00    -0.01   0.07  -0.05    -0.00  -0.04   0.04
    33   6     0.00  -0.00   0.00    -0.00   0.06  -0.03     0.00  -0.04   0.02
    34   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.04     0.00   0.03   0.03
    35   1     0.00   0.00   0.00     0.01  -0.08   0.05    -0.01   0.05  -0.04
    36   6    -0.00   0.00  -0.00     0.00   0.02   0.08    -0.00  -0.01  -0.05
    37   1    -0.00   0.00   0.00     0.01  -0.17  -0.02    -0.00   0.12   0.02
    38   6     0.00  -0.00   0.00    -0.01   0.07  -0.10     0.01  -0.05   0.07
    39   1    -0.00   0.01  -0.01     0.02  -0.22   0.17    -0.01   0.16  -0.12
                     88                     89                     90
                      A                      A                      B
 Frequencies --   1501.7719              1507.0112              1562.8546
 Red. masses --      3.3694                 1.1184                 6.7983
 Frc consts  --      4.4773                 1.4965                 9.7833
 IR Inten    --      1.8163                 4.6227                 0.1602
 RamAct Fr= 1--      5.5489                 5.0640                12.4108
  Dep-P Fr= 1--      0.6571                 0.3348                 0.7500
  Dep-U Fr= 1--      0.7931                 0.5016                 0.8571
 Alpha2 Fr= 1--      0.0092                 0.0467                 0.0000
 Beta2  Fr= 1--      0.7334                 0.4234                 1.7730
 AlphaG Fr= 1--    -13.4308                 4.0461                -0.0000
 Gamma2 Fr= 1--    200.6549                11.8730               107.2239
 Delta2 Fr= 1--     -1.6772                -0.0794                10.4582
 Raman1 Fr= 1--      22.196                 20.256                 49.643
 ROA1   Fr= 1--   19209.198               1137.268              10628.158
 CID1   Fr= 1--     865.451                 56.145                214.092
 Raman2 Fr= 1--       8.801                  5.080                 21.276
 ROA2   Fr= 1--    4829.135                285.587               2489.709
 CID2   Fr= 1--     548.683                 56.212                117.022
 Raman3 Fr= 1--      17.603                 10.161                 42.551
 ROA3   Fr= 1--   19209.198               1137.268              10628.158
 CID3   Fr= 1--    1091.268                111.925                249.773
 RC180  Fr= 1--       0.586                  0.003                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.01  -0.08  -0.11    -0.00   0.01   0.01    -0.00   0.02   0.02
     3   7     0.00  -0.05  -0.02     0.00   0.00   0.00     0.02  -0.20  -0.08
     4   7    -0.00   0.05  -0.02    -0.00  -0.00   0.00     0.02  -0.20   0.08
     5   7    -0.01   0.08  -0.11     0.00  -0.01   0.01    -0.00   0.02  -0.02
     6   6    -0.01   0.10   0.17     0.00  -0.01  -0.02     0.01  -0.07  -0.09
     7   1     0.04  -0.38  -0.28    -0.00   0.04   0.03    -0.01   0.13   0.10
     8   6     0.01   0.04  -0.13    -0.00  -0.00   0.01    -0.01   0.06   0.05
     9   1     0.01  -0.29   0.05    -0.00   0.02  -0.00    -0.00  -0.03   0.11
    10   6    -0.00  -0.06   0.07     0.00   0.00  -0.01     0.02  -0.11  -0.19
    11   1     0.01  -0.13  -0.08    -0.00   0.01   0.01    -0.02   0.02   0.39
    12   6    -0.01   0.11   0.04     0.00  -0.01  -0.00    -0.02   0.12   0.30
    13   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.15  -0.07
    14   1    -0.01   0.11   0.10     0.00  -0.01  -0.01     0.01   0.17  -0.10
    15   6    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.01   0.04   0.01
    16   1     0.00   0.01   0.01     0.01   0.03   0.03    -0.00  -0.00   0.12
    17   6     0.00  -0.01  -0.00     0.02  -0.04   0.00    -0.00  -0.01   0.00
    18   1    -0.07   0.03   0.01    -0.34   0.14   0.01     0.02  -0.01   0.02
    19   1     0.01   0.08  -0.00     0.06   0.36  -0.02    -0.00  -0.01  -0.01
    20   6    -0.01  -0.01   0.01    -0.02  -0.02   0.03    -0.00   0.00  -0.00
    21   1    -0.01   0.06  -0.10    -0.03   0.18  -0.28    -0.00   0.01  -0.01
    22   1     0.11   0.01  -0.03     0.32   0.03  -0.08     0.01  -0.01  -0.01
    23   6     0.01   0.01   0.01     0.02   0.02   0.03    -0.00   0.00   0.00
    24   1    -0.11  -0.01  -0.03    -0.32  -0.03  -0.08     0.01  -0.01   0.01
    25   1     0.01  -0.06  -0.10     0.03  -0.18  -0.28    -0.00   0.01   0.01
    26   6    -0.00   0.01  -0.00    -0.02   0.04   0.00    -0.00  -0.01  -0.00
    27   1    -0.01  -0.08  -0.00    -0.06  -0.36  -0.02    -0.00  -0.01   0.01
    28   1     0.07  -0.03   0.01     0.34  -0.14   0.01     0.02  -0.01  -0.02
    29   6     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
    30   1    -0.00  -0.01   0.01    -0.01  -0.03   0.03    -0.00  -0.00  -0.12
    31   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.15   0.07
    32   1     0.01  -0.11   0.10    -0.00   0.01  -0.01     0.01   0.17   0.10
    33   6     0.01  -0.11   0.04    -0.00   0.01  -0.00    -0.02   0.12  -0.30
    34   6     0.00   0.06   0.07    -0.00  -0.00  -0.01     0.02  -0.11   0.19
    35   1    -0.01   0.13  -0.08     0.00  -0.01   0.01    -0.02   0.02  -0.39
    36   6    -0.01  -0.04  -0.13     0.00   0.00   0.01    -0.01   0.06  -0.05
    37   1    -0.01   0.29   0.05     0.00  -0.02  -0.00    -0.00  -0.03  -0.11
    38   6     0.01  -0.10   0.17    -0.00   0.01  -0.02     0.01  -0.07   0.09
    39   1    -0.04   0.38  -0.28     0.00  -0.04   0.03    -0.01   0.13  -0.10
                     91                     92                     93
                      A                      B                      A
 Frequencies --   1568.5481              1622.4296              1632.8679
 Red. masses --      6.9087                 5.8085                 6.2198
 Frc consts  --     10.0148                 9.0084                 9.7707
 IR Inten    --      4.2787               295.3518               648.8920
 RamAct Fr= 1--    117.5903              1079.7672              1852.2706
  Dep-P Fr= 1--      0.2172                 0.7500                 0.1275
  Dep-U Fr= 1--      0.3568                 0.8571                 0.2262
 Alpha2 Fr= 1--      1.5253                 0.0000                30.2999
 Beta2  Fr= 1--      6.9934               154.2525                69.8252
 AlphaG Fr= 1--    -16.5014                 0.0000               918.0730
 Gamma2 Fr= 1--    126.8457              5023.3808              1301.0682
 Delta2 Fr= 1--    -18.3260               122.9617              -135.2594
 Raman1 Fr= 1--     470.361               4319.069               7409.082
 ROA1   Fr= 1--   11590.760             486179.332             120574.249
 CID1   Fr= 1--      24.642                112.566                 16.274
 Raman2 Fr= 1--      83.920               1851.030                837.902
 ROA2   Fr= 1--    3190.906             119577.446              32307.712
 CID2   Fr= 1--      38.023                 64.601                 38.558
 Raman3 Fr= 1--     167.841               3702.059               1675.805
 ROA3   Fr= 1--   11590.760             486179.332             120574.249
 CID3   Fr= 1--      69.058                131.327                 71.950
 RC180  Fr= 1--      -0.286                  0.714                 -0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.00   0.02   0.01     0.00   0.01  -0.00     0.00   0.00  -0.02
     3   7     0.01  -0.21  -0.09     0.03  -0.19  -0.10     0.03  -0.20  -0.11
     4   7    -0.01   0.21  -0.09     0.03  -0.19   0.10    -0.03   0.20  -0.11
     5   7     0.00  -0.02   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.02
     6   6     0.01  -0.07  -0.09    -0.00   0.04   0.04    -0.00   0.04   0.05
     7   1    -0.01   0.14   0.11     0.00  -0.00  -0.00     0.00  -0.03  -0.01
     8   6    -0.01   0.06   0.05     0.00  -0.07   0.03     0.00  -0.06   0.03
     9   1    -0.00  -0.02   0.11    -0.00   0.07  -0.05     0.00   0.04  -0.04
    10   6     0.02  -0.11  -0.19    -0.00   0.06   0.01    -0.00   0.06   0.02
    11   1    -0.02   0.02   0.38     0.00   0.05  -0.09     0.00   0.04  -0.09
    12   6    -0.02   0.12   0.31     0.01  -0.10  -0.17     0.01  -0.09  -0.17
    13   6     0.00   0.15  -0.07    -0.02   0.26   0.21    -0.02   0.27   0.22
    14   1     0.01   0.18  -0.09     0.06  -0.26  -0.37     0.06  -0.26  -0.37
    15   6    -0.00   0.04   0.05    -0.02   0.02  -0.01    -0.01   0.00   0.02
    16   1     0.01   0.03   0.07     0.02   0.06   0.25     0.03   0.11   0.19
    17   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    18   1     0.03  -0.02   0.05     0.00  -0.00  -0.00    -0.00   0.00   0.03
    19   1    -0.01  -0.02   0.00    -0.00   0.00  -0.02    -0.00   0.01  -0.01
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.00
    22   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.01   0.00
    25   1     0.00   0.00   0.01    -0.00   0.01   0.01     0.00  -0.01  -0.00
    26   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00   0.00  -0.00
    27   1     0.01   0.02   0.00    -0.00   0.00   0.02     0.00  -0.01  -0.01
    28   1    -0.03   0.02   0.05     0.00  -0.00   0.00     0.00  -0.00   0.03
    29   6     0.00  -0.04   0.05    -0.02   0.02   0.01     0.01  -0.00   0.02
    30   1    -0.01  -0.03   0.07     0.02   0.06  -0.25    -0.03  -0.11   0.19
    31   6    -0.00  -0.15  -0.07    -0.02   0.26  -0.21     0.02  -0.27   0.22
    32   1    -0.01  -0.18  -0.09     0.06  -0.26   0.37    -0.06   0.26  -0.37
    33   6     0.02  -0.12   0.31     0.01  -0.10   0.17    -0.01   0.09  -0.17
    34   6    -0.02   0.11  -0.19    -0.00   0.06  -0.01     0.00  -0.06   0.02
    35   1     0.02  -0.02   0.38     0.00   0.05   0.09    -0.00  -0.04  -0.09
    36   6     0.01  -0.06   0.05     0.00  -0.07  -0.03    -0.00   0.06   0.03
    37   1     0.00   0.02   0.11    -0.00   0.07   0.05    -0.00  -0.04  -0.04
    38   6    -0.01   0.07  -0.09    -0.00   0.04  -0.04     0.00  -0.04   0.05
    39   1     0.01  -0.14   0.11     0.00  -0.00   0.00    -0.00   0.03  -0.01
                     94                     95                     96
                      A                      B                      A
 Frequencies --   2956.7572              2971.1763              3015.1528
 Red. masses --      1.0786                 1.0841                 1.0717
 Frc consts  --      5.5559                 5.6385                 5.7404
 IR Inten    --     21.6305                29.6005                16.3199
 RamAct Fr= 1--    465.2544               193.0012               302.7392
  Dep-P Fr= 1--      0.1287                 0.7500                 0.0724
  Dep-U Fr= 1--      0.2280                 0.8571                 0.1349
 Alpha2 Fr= 1--      7.5890                 0.0000                 5.6684
 Beta2  Fr= 1--     17.6783                27.5716                 6.8086
 AlphaG Fr= 1--      2.3564                -0.0000               -12.4295
 Gamma2 Fr= 1--    -67.9851               159.4580                23.2185
 Delta2 Fr= 1--    -56.5833               120.5550                 4.7511
 Raman1 Fr= 1--    1861.018                772.005               1210.957
 ROA1   Fr= 1--   -8337.241              19165.724               2381.009
 CID1   Fr= 1--      -4.480                 24.826                  1.966
 Raman2 Fr= 1--     212.140                330.859                 81.703
 ROA2   Fr= 1--   -1178.977               2862.551                519.235
 CID2   Fr= 1--      -5.558                  8.652                  6.355
 Raman3 Fr= 1--     424.280                661.718                163.406
 ROA3   Fr= 1--   -8337.241              19165.724               2381.009
 CID3   Fr= 1--     -19.650                 28.964                 14.571
 RC180  Fr= 1--      -0.544                  0.714                 -0.730
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   6    -0.06   0.01   0.00    -0.06   0.01   0.00    -0.00   0.00  -0.00
    16   1     0.70  -0.09  -0.03     0.69  -0.09  -0.03     0.02  -0.00  -0.00
    17   6     0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    18   1    -0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.01  -0.02   0.00
    19   1    -0.03   0.01   0.00    -0.12   0.01   0.01    -0.16   0.02   0.01
    20   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.00   0.01
    21   1    -0.03  -0.00   0.00    -0.02  -0.00  -0.00     0.67  -0.02  -0.04
    22   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.06   0.07  -0.11
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.05   0.00   0.01
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.06  -0.07  -0.11
    25   1     0.03   0.00   0.00    -0.02  -0.00   0.00    -0.67   0.02  -0.04
    26   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    27   1     0.03  -0.01   0.00    -0.12   0.01  -0.01     0.16  -0.02   0.01
    28   1     0.01   0.02  -0.00     0.00  -0.01   0.00     0.01   0.02   0.00
    29   6     0.06  -0.01   0.00    -0.06   0.01  -0.00     0.00  -0.00  -0.00
    30   1    -0.70   0.09  -0.03     0.69  -0.09   0.03    -0.02   0.00  -0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    34   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     97                     98                     99
                      B                      A                      B
 Frequencies --   3021.3033              3026.4220              3027.7409
 Red. masses --      1.0658                 1.0612                 1.0600
 Frc consts  --      5.7321                 5.7265                 5.7253
 IR Inten    --     18.6678                 3.3636                46.5324
 RamAct Fr= 1--     30.4655                78.5682                 9.6091
  Dep-P Fr= 1--      0.7500                 0.1414                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2478                 0.8571
 Alpha2 Fr= 1--      0.0000                 1.2413                 0.0000
 Beta2  Fr= 1--      4.3522                 3.2443                 1.3727
 AlphaG Fr= 1--      0.0000                -8.1915                 0.0000
 Gamma2 Fr= 1--      3.6007               -14.7794                12.9485
 Delta2 Fr= 1--     15.3819               -14.7434                -5.2959
 Raman1 Fr= 1--     121.862                314.273                 38.437
 ROA1   Fr= 1--     837.884              -1890.610               1073.585
 CID1   Fr= 1--       6.876                 -6.016                 27.931
 Raman2 Fr= 1--      52.227                 38.931                 16.473
 ROA2   Fr= 1--     -36.639               -236.758                353.130
 CID2   Fr= 1--      -0.702                 -6.081                 21.437
 Raman3 Fr= 1--     104.453                 77.863                 32.946
 ROA3   Fr= 1--     837.884              -1890.610               1073.585
 CID3   Fr= 1--       8.022                -24.281                 32.587
 RC180  Fr= 1--       0.714                 -0.504                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
    15   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    16   1    -0.04   0.00   0.00     0.02  -0.01  -0.00     0.09  -0.01  -0.00
    17   6     0.03  -0.01  -0.00    -0.04   0.03   0.00    -0.03   0.03   0.00
    18   1     0.05   0.08   0.00    -0.16  -0.31   0.00    -0.16  -0.31   0.00
    19   1    -0.36   0.05   0.01     0.59  -0.07  -0.02     0.47  -0.06  -0.01
    20   6    -0.04  -0.01   0.02    -0.01  -0.00   0.01    -0.01  -0.01   0.02
    21   1     0.54  -0.02  -0.03     0.11  -0.01  -0.01     0.26  -0.01  -0.01
    22   1    -0.10   0.12  -0.20    -0.05   0.06  -0.10    -0.10   0.13  -0.22
    23   6    -0.04  -0.01  -0.02     0.01   0.00   0.01    -0.01  -0.01  -0.02
    24   1    -0.10   0.12   0.20     0.05  -0.06  -0.10    -0.10   0.13   0.22
    25   1     0.54  -0.02   0.03    -0.11   0.01  -0.01     0.26  -0.01   0.01
    26   6     0.03  -0.01   0.00     0.04  -0.03   0.00    -0.03   0.03  -0.00
    27   1    -0.36   0.05  -0.01    -0.59   0.07  -0.02     0.47  -0.06   0.01
    28   1     0.05   0.08  -0.00     0.16   0.31   0.00    -0.16  -0.31  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    30   1    -0.04   0.00  -0.00    -0.02   0.01  -0.00     0.09  -0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    33   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    100                    101                    102
                      B                      A                      A
 Frequencies --   3067.5665              3068.6017              3070.6165
 Red. masses --      1.0966                 1.0907                 1.1018
 Frc consts  --      6.0799                 6.0512                 6.1207
 IR Inten    --     40.4624                65.1046                 0.0022
 RamAct Fr= 1--     68.8246               439.5520                90.4027
  Dep-P Fr= 1--      0.7500                 0.1942                 0.4728
  Dep-U Fr= 1--      0.8571                 0.3253                 0.6420
 Alpha2 Fr= 1--      0.0000                 6.0607                 0.5042
 Beta2  Fr= 1--      9.8321                23.8316                 9.6736
 AlphaG Fr= 1--     -0.0000               -14.2088                -2.4072
 Gamma2 Fr= 1--    -69.0947                84.7353                -6.8941
 Delta2 Fr= 1--    -59.8494                34.4041                 1.2297
 Raman1 Fr= 1--     275.298               1758.208                361.611
 ROA1   Fr= 1--   -8548.273               9235.519               -622.486
 CID1   Fr= 1--     -31.051                  5.253                 -1.721
 Raman2 Fr= 1--     117.985                285.980                116.083
 ROA2   Fr= 1--   -1179.478               1758.414               -175.297
 CID2   Fr= 1--      -9.997                  6.149                 -1.510
 Raman3 Fr= 1--     235.970                571.959                232.167
 ROA3   Fr= 1--   -8548.273               9235.519               -622.486
 CID3   Fr= 1--     -36.226                 16.147                 -2.681
 RC180  Fr= 1--       0.714                 -0.349                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.02   0.02     0.00   0.01  -0.00    -0.00  -0.02   0.02
    15   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.03  -0.00  -0.00     0.00  -0.00   0.00     0.04  -0.01   0.00
    17   6    -0.03  -0.03   0.00     0.00   0.01   0.00    -0.05  -0.04   0.00
    18   1     0.20   0.43  -0.01    -0.06  -0.12   0.00     0.25   0.55  -0.01
    19   1     0.16  -0.03  -0.00     0.05  -0.00  -0.00     0.33  -0.05  -0.01
    20   6     0.03  -0.02   0.03    -0.03   0.03  -0.04    -0.01   0.00  -0.00
    21   1    -0.17  -0.00   0.02     0.13   0.00  -0.02     0.11  -0.00  -0.01
    22   1    -0.15   0.22  -0.37     0.23  -0.33   0.55     0.02  -0.04   0.06
    23   6     0.03  -0.02  -0.03     0.03  -0.03  -0.04     0.01  -0.00  -0.00
    24   1    -0.15   0.22   0.37    -0.23   0.33   0.55    -0.02   0.04   0.06
    25   1    -0.17  -0.00  -0.02    -0.13  -0.00  -0.02    -0.11   0.00  -0.01
    26   6    -0.03  -0.03  -0.00    -0.00  -0.01   0.00     0.05   0.04   0.00
    27   1     0.16  -0.03   0.00    -0.05   0.00  -0.00    -0.33   0.05  -0.01
    28   1     0.20   0.43   0.01     0.06   0.12   0.00    -0.25  -0.55  -0.01
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   1     0.03  -0.00   0.00    -0.00   0.00   0.00    -0.04   0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.02  -0.02    -0.00  -0.01  -0.00     0.00   0.02   0.02
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    35   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
                    103                    104                    105
                      B                      B                      A
 Frequencies --   3075.1796              3142.8526              3143.0744
 Red. masses --      1.1046                 1.0911                 1.0910
 Frc consts  --      6.1546                 6.3497                 6.3499
 IR Inten    --     62.4545                20.8138                14.0954
 RamAct Fr= 1--     71.6898               280.9946                40.7769
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2981
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4593
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.4206
 Beta2  Fr= 1--     10.2414                40.1421                 3.1212
 AlphaG Fr= 1--     -0.0000                 0.0000               -54.1367
 Gamma2 Fr= 1--     12.0705               -94.2531              -138.5227
 Delta2 Fr= 1--     37.6992                -5.9454                -5.9021
 Raman1 Fr= 1--     286.759               1123.978                163.108
 ROA1   Fr= 1--    2365.148              -9238.548             -13487.045
 CID1   Fr= 1--       8.248                 -8.220                -82.688
 Raman2 Fr= 1--     122.897                481.705                 37.454
 ROA2   Fr= 1--     -11.901              -2214.511              -3277.328
 CID2   Fr= 1--      -0.097                 -4.597                -87.502
 Raman3 Fr= 1--     245.794                963.410                 74.909
 ROA3   Fr= 1--    2365.148              -9238.548             -13487.045
 CID3   Fr= 1--       9.622                 -9.589               -180.046
 RC180  Fr= 1--       0.714                  0.714                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.05   0.04    -0.00  -0.05   0.04
    14   1    -0.00  -0.01   0.01     0.04   0.53  -0.46     0.04   0.53  -0.46
    15   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.06  -0.01  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    17   6    -0.04  -0.02   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1     0.16   0.34  -0.00     0.01   0.03   0.00     0.01   0.03   0.00
    19   1     0.31  -0.05  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   6    -0.04   0.02  -0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.32  -0.00  -0.03     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.13  -0.19   0.31    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.04   0.02   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.13  -0.19  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.32  -0.00   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.04  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.31  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.16   0.34   0.00     0.01   0.03  -0.00    -0.01  -0.03   0.00
    29   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.06  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00  -0.05  -0.04     0.00   0.05   0.04
    32   1    -0.00  -0.01  -0.01     0.04   0.53   0.46    -0.04  -0.53  -0.46
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    106                    107                    108
                      B                      A                      B
 Frequencies --   3224.8771              3226.3475              3232.9339
 Red. masses --      1.0889                 1.0887                 1.0942
 Frc consts  --      6.6719                 6.6768                 6.7382
 IR Inten    --      0.3921                 0.9671                11.3604
 RamAct Fr= 1--    130.8731               102.9433                 2.1023
  Dep-P Fr= 1--      0.7500                 0.7363                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8482                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0240                 0.0000
 Beta2  Fr= 1--     18.6962                14.5519                 0.3003
 AlphaG Fr= 1--     -0.0000                 3.7308                -0.0000
 Gamma2 Fr= 1--    -41.2364              -130.6875                29.9931
 Delta2 Fr= 1--     -4.6444                -5.2172                 0.4944
 Raman1 Fr= 1--     523.492                411.773                  8.409
 ROA1   Fr= 1--   -4107.314             -12712.950               2895.162
 CID1   Fr= 1--      -7.846                -30.874                344.287
 Raman2 Fr= 1--     224.354                174.623                  3.604
 ROA2   Fr= 1--    -952.517              -3094.763                715.881
 CID2   Fr= 1--      -4.246                -17.723                198.639
 Raman3 Fr= 1--     448.708                349.247                  7.208
 ROA3   Fr= 1--   -4107.314             -12712.950               2895.162
 CID3   Fr= 1--      -9.154                -36.401                401.668
 RC180  Fr= 1--       0.714                  0.696                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02    -0.00  -0.03   0.03
     7   1     0.01   0.31  -0.33    -0.00  -0.23   0.24     0.01   0.31  -0.33
     8   6     0.00  -0.02  -0.03    -0.00   0.02   0.03    -0.00   0.01   0.00
     9   1    -0.03   0.22   0.37     0.03  -0.24  -0.39     0.00  -0.04  -0.05
    10   6    -0.00   0.03  -0.01     0.00  -0.04   0.01     0.00  -0.05   0.01
    11   1     0.01  -0.32   0.09    -0.01   0.41  -0.11    -0.02   0.52  -0.14
    12   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00   0.03   0.01    -0.00   0.04   0.01     0.00  -0.05  -0.01
    35   1     0.01  -0.32  -0.09     0.01  -0.41  -0.11    -0.02   0.52   0.14
    36   6     0.00  -0.02   0.03     0.00  -0.02   0.03    -0.00   0.01  -0.00
    37   1    -0.03   0.22  -0.37    -0.03   0.24  -0.39     0.00  -0.04   0.05
    38   6    -0.00  -0.03  -0.03    -0.00  -0.02  -0.02    -0.00  -0.03  -0.03
    39   1     0.01   0.31   0.33     0.00   0.23   0.24     0.01   0.31   0.33
                    109                    110                    111
                      A                      B                      A
 Frequencies --   3235.1839              3248.9025              3249.9243
 Red. masses --      1.0938                 1.1034                 1.1032
 Frc consts  --      6.7449                 6.8622                 6.8651
 IR Inten    --      3.0187                 8.1071                15.1987
 RamAct Fr= 1--    157.1488                68.1303               447.7008
  Dep-P Fr= 1--      0.6105                 0.7500                 0.1196
  Dep-U Fr= 1--      0.7582                 0.8571                 0.2136
 Alpha2 Fr= 1--      0.4033                 0.0000                 7.4692
 Beta2  Fr= 1--     19.8571                 9.7329                15.9409
 AlphaG Fr= 1--      7.7765                 0.0000              -107.4898
 Gamma2 Fr= 1--     61.4718               -16.2472              -279.9473
 Delta2 Fr= 1--     -0.4948                21.0759               -12.0802
 Raman1 Fr= 1--     628.595                272.521               1790.803
 ROA1   Fr= 1--    5885.459               -885.299             -27261.504
 CID1   Fr= 1--       9.363                 -3.249                -15.223
 Raman2 Fr= 1--     238.285                116.795                191.291
 ROA2   Fr= 1--    1479.281               -558.539              -6622.092
 CID2   Fr= 1--       6.208                 -4.782                -34.618
 Raman3 Fr= 1--     476.571                233.590                382.582
 ROA3   Fr= 1--    5885.459               -885.299             -27261.504
 CID3   Fr= 1--      12.350                 -3.790                -71.257
 RC180  Fr= 1--       0.516                  0.714                 -0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02     0.00   0.02  -0.02
     7   1     0.01   0.35  -0.37    -0.00  -0.21   0.21    -0.00  -0.25   0.26
     8   6     0.00  -0.00  -0.01     0.00  -0.03  -0.04     0.00  -0.03  -0.04
     9   1    -0.01   0.04   0.07    -0.04   0.29   0.47    -0.04   0.27   0.45
    10   6     0.00  -0.04   0.01     0.00  -0.03   0.01     0.00  -0.03   0.01
    11   1    -0.01   0.47  -0.13    -0.01   0.31  -0.09    -0.01   0.28  -0.08
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.04   0.01     0.00  -0.03  -0.01    -0.00   0.03   0.01
    35   1     0.01  -0.47  -0.13    -0.01   0.31   0.09     0.01  -0.28  -0.08
    36   6    -0.00   0.00  -0.01     0.00  -0.03   0.04    -0.00   0.03  -0.04
    37   1     0.01  -0.04   0.07    -0.04   0.29  -0.47     0.04  -0.27   0.45
    38   6     0.00   0.03   0.03     0.00   0.02   0.02    -0.00  -0.02  -0.02
    39   1    -0.01  -0.35  -0.37    -0.00  -0.21  -0.21     0.00   0.25   0.26

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 28 and mass  57.93535
 Atom     2 has atomic number  7 and mass  14.00307
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  1 and mass   1.00783
 Molecular mass:   324.08849 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4818.025056447.50548**********
           X            0.00000  -0.03992   0.99920
           Y            0.00000   0.99920   0.03992
           Z            1.00000   0.00000   0.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  2.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01798     0.01343     0.00777
 Rotational constants (GHZ):           0.37458     0.27991     0.16197
 Zero-point vibrational energy     839710.6 (Joules/Mol)
                                  200.69564 (Kcal/Mol)
 Warning -- explicit consideration of  27 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.44    80.29   101.27   140.62   179.83
          (Kelvin)            217.97   220.77   239.37   307.84   365.98
                              371.82   395.37   399.32   477.88   489.85
                              521.75   557.48   575.77   580.88   614.40
                              639.90   677.02   704.80   825.71   875.68
                              880.58   885.49   952.32   953.35  1002.63
                             1003.74  1062.03  1067.12  1128.36  1162.91
                             1181.85  1191.86  1197.71  1226.84  1236.35
                             1247.84  1269.83  1293.37  1326.67  1329.15
                             1356.82  1380.09  1382.33  1385.44  1449.15
                             1456.59  1527.90  1530.32  1531.17  1545.53
                             1551.71  1583.45  1590.10  1599.06  1605.08
                             1659.19  1689.54  1769.74  1771.69  1785.74
                             1826.50  1828.54  1857.83  1867.31  1885.30
                             1901.92  1907.32  1922.30  1934.55  1955.02
                             1959.88  1978.94  1982.85  1993.50  2003.55
                             2008.45  2044.43  2051.17  2145.07  2146.27
                             2153.64  2154.82  2160.71  2168.25  2248.60
                             2256.79  2334.31  2349.33  4254.11  4274.86
                             4338.13  4346.98  4354.35  4356.24  4413.54
                             4415.03  4417.93  4424.50  4521.86  4522.18
                             4639.88  4641.99  4651.47  4654.71  4674.45
                             4675.92
 
 Zero-point correction=                           0.319829 (Hartree/Particle)
 Thermal correction to Energy=                    0.336763
 Thermal correction to Enthalpy=                  0.337707
 Thermal correction to Gibbs Free Energy=         0.276126
 Sum of electronic and zero-point Energies=          -2348.073912
 Sum of electronic and thermal Energies=             -2348.056978
 Sum of electronic and thermal Enthalpies=           -2348.056034
 Sum of electronic and thermal Free Energies=        -2348.117615
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  211.322             69.676            129.608
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.223
 Rotational               0.889              2.981             32.826
 Vibrational            209.544             63.714             53.560
 Vibration     1          0.595              1.978              4.859
 Vibration     2          0.596              1.975              4.600
 Vibration     3          0.598              1.968              4.143
 Vibration     4          0.603              1.951              3.499
 Vibration     5          0.610              1.928              3.022
 Vibration     6          0.619              1.901              2.653
 Vibration     7          0.619              1.899              2.629
 Vibration     8          0.624              1.884              2.476
 Vibration     9          0.644              1.820              2.010
 Vibration    10          0.665              1.755              1.700
 Vibration    11          0.667              1.749              1.672
 Vibration    12          0.677              1.720              1.566
 Vibration    13          0.679              1.715              1.549
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.720              1.595              1.210
 Vibration    16          0.736              1.549              1.111
 Vibration    17          0.756              1.497              1.010
 Vibration    18          0.766              1.470              0.962
 Vibration    19          0.769              1.462              0.949
 Vibration    20          0.789              1.411              0.868
 Vibration    21          0.804              1.372              0.812
 Vibration    22          0.828              1.315              0.736
 Vibration    23          0.846              1.273              0.684
 Vibration    24          0.930              1.088              0.497
 Vibration    25          0.968              1.014              0.435
 Vibration    26          0.971              1.006              0.429
 Vibration    27          0.975              0.999              0.424
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.979586-127       -127.008958       -292.448932
 Total V=0       0.126467D+21         20.101978         46.286514
 Vib (Bot)       0.128281-141       -141.891838       -326.718032
 Vib (Bot)    1  0.422269D+01          0.625589          1.440473
 Vib (Bot)    2  0.370231D+01          0.568473          1.308958
 Vib (Bot)    3  0.293002D+01          0.466870          1.075008
 Vib (Bot)    4  0.210073D+01          0.322371          0.742287
 Vib (Bot)    5  0.163306D+01          0.213002          0.490454
 Vib (Bot)    6  0.133783D+01          0.126400          0.291046
 Vib (Bot)    7  0.132012D+01          0.120613          0.277723
 Vib (Bot)    8  0.121274D+01          0.083767          0.192881
 Vib (Bot)    9  0.926804D+00         -0.033012         -0.076014
 Vib (Bot)   10  0.765666D+00         -0.115961         -0.267009
 Vib (Bot)   11  0.752174D+00         -0.123682         -0.284788
 Vib (Bot)   12  0.701568D+00         -0.153931         -0.354438
 Vib (Bot)   13  0.693635D+00         -0.158869         -0.365810
 Vib (Bot)   14  0.561797D+00         -0.250421         -0.576615
 Vib (Bot)   15  0.545232D+00         -0.263418         -0.606543
 Vib (Bot)   16  0.504553D+00         -0.297093         -0.684082
 Vib (Bot)   17  0.464179D+00         -0.333314         -0.767485
 Vib (Bot)   18  0.445332D+00         -0.351316         -0.808935
 Vib (Bot)   19  0.440258D+00         -0.356293         -0.820394
 Vib (Bot)   20  0.408966D+00         -0.388313         -0.894123
 Vib (Bot)   21  0.387216D+00         -0.412046         -0.948772
 Vib (Bot)   22  0.358293D+00         -0.445762         -1.026404
 Vib (Bot)   23  0.338515D+00         -0.470423         -1.083188
 Vib (Bot)   24  0.267144D+00         -0.573255         -1.319968
 Vib (Bot)   25  0.243156D+00         -0.614115         -1.414051
 Vib (Bot)   26  0.240946D+00         -0.618079         -1.423180
 Vib (Bot)   27  0.238757D+00         -0.622044         -1.432310
 Vib (V=0)       0.165614D+06          5.219097         12.017414
 Vib (V=0)    1  0.475219D+01          0.676894          1.558606
 Vib (V=0)    2  0.423592D+01          0.626948          1.443601
 Vib (V=0)    3  0.347237D+01          0.540626          1.244838
 Vib (V=0)    4  0.265942D+01          0.424786          0.978107
 Vib (V=0)    5  0.220789D+01          0.343977          0.792036
 Vib (V=0)    6  0.192821D+01          0.285154          0.656591
 Vib (V=0)    7  0.191164D+01          0.281405          0.647959
 Vib (V=0)    8  0.181177D+01          0.258102          0.594303
 Vib (V=0)    9  0.155307D+01          0.191192          0.440236
 Vib (V=0)   10  0.141446D+01          0.150592          0.346751
 Vib (V=0)   11  0.140320D+01          0.147119          0.338753
 Vib (V=0)   12  0.136151D+01          0.134020          0.308593
 Vib (V=0)   13  0.135506D+01          0.131959          0.303846
 Vib (V=0)   14  0.125207D+01          0.097630          0.224802
 Vib (V=0)   15  0.123978D+01          0.093346          0.214936
 Vib (V=0)   16  0.121033D+01          0.082905          0.190896
 Vib (V=0)   17  0.118225D+01          0.072709          0.167418
 Vib (V=0)   18  0.116957D+01          0.068025          0.156634
 Vib (V=0)   19  0.116620D+01          0.066774          0.153754
 Vib (V=0)   20  0.114595D+01          0.059166          0.136235
 Vib (V=0)   21  0.113241D+01          0.054002          0.124344
 Vib (V=0)   22  0.111512D+01          0.047322          0.108963
 Vib (V=0)   23  0.110381D+01          0.042896          0.098772
 Vib (V=0)   24  0.106689D+01          0.028120          0.064749
 Vib (V=0)   25  0.105599D+01          0.023660          0.054479
 Vib (V=0)   26  0.105503D+01          0.023264          0.053567
 Vib (V=0)   27  0.105408D+01          0.022874          0.052668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.229324D+09          8.360449         19.250646
 Rotational      0.332990D+07          6.522432         15.018454
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       28           0.000000000    0.000000000   -0.000036981
      2        7           0.000016409   -0.000025090    0.000012903
      3        7          -0.000008500   -0.000029420   -0.000010402
      4        7           0.000008500    0.000029420   -0.000010402
      5        7          -0.000016409    0.000025090    0.000012903
      6        6          -0.000012150    0.000002209    0.000004455
      7        1           0.000004897    0.000002317   -0.000007424
      8        6           0.000009887    0.000010029   -0.000012470
      9        1           0.000000486   -0.000001750   -0.000002677
     10        6          -0.000009307    0.000005928    0.000014783
     11        1           0.000000291   -0.000001907    0.000000838
     12        6           0.000001385   -0.000013547    0.000004025
     13        6           0.000010962    0.000024565    0.000010930
     14        1          -0.000000808   -0.000001909    0.000000997
     15        6          -0.000011474    0.000013314    0.000011659
     16        1           0.000011100   -0.000002914   -0.000000668
     17        6           0.000011525    0.000001691   -0.000002402
     18        1          -0.000002776   -0.000001846   -0.000000517
     19        1          -0.000003618    0.000002985   -0.000000029
     20        6          -0.000008927    0.000004225   -0.000005005
     21        1           0.000004332    0.000001488   -0.000000542
     22        1           0.000004963   -0.000002309    0.000000038
     23        6           0.000008927   -0.000004225   -0.000005005
     24        1          -0.000004963    0.000002309    0.000000038
     25        1          -0.000004332   -0.000001488   -0.000000542
     26        6          -0.000011525   -0.000001691   -0.000002402
     27        1           0.000003618   -0.000002985   -0.000000029
     28        1           0.000002776    0.000001846   -0.000000517
     29        6           0.000011474   -0.000013314    0.000011659
     30        1          -0.000011100    0.000002914   -0.000000668
     31        6          -0.000010962   -0.000024565    0.000010930
     32        1           0.000000808    0.000001909    0.000000997
     33        6          -0.000001385    0.000013547    0.000004025
     34        6           0.000009307   -0.000005928    0.000014783
     35        1          -0.000000291    0.000001907    0.000000838
     36        6          -0.000009887   -0.000010029   -0.000012470
     37        1          -0.000000486    0.000001750   -0.000002677
     38        6           0.000012150   -0.000002209    0.000004455
     39        1          -0.000004897   -0.000002317   -0.000007424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000036981 RMS     0.000009903
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149192D+03 -0.111754D+02  0.000000D+00
      2  -0.111754D+02  0.327553D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.384203D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.519169D+02 -0.242532D+03  0.000000D+00
      2   0.459532D+02 -0.100877D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.220312D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.233099D+03
      2   0.000000D+00  0.000000D+00  0.253945D+03
      3   0.000000D+00  0.000000D+00 -0.208454D+02
      4   0.000000D+00  0.000000D+00 -0.658485D+02
      5  -0.630529D+02 -0.463995D+02  0.000000D+00
      6  -0.882964D+02  0.616086D+03  0.000000D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.214921D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00  0.276787D+01  0.000000D+00  0.000000D+00
      3  -0.214921D+01  0.276787D+01  0.000000D+00  0.355609D+00  0.134913D+01
                 6             7             8             9            10 
      1   0.355609D+00  0.206418D+00  0.851745D+00  0.000000D+00  0.255290D+00
      2   0.134913D+01  0.851745D+00  0.340695D+02  0.000000D+00 -0.136855D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.111578D+02  0.506016D+00
                11            12            13            14            15 
      1  -0.136855D+01  0.506016D+00  0.810054D+00 -0.661403D-01  0.127392D+01
      2   0.871542D+01  0.402069D+00 -0.661403D-01  0.127954D+02 -0.119972D+01
      3   0.402069D+00 -0.423643D+01  0.127392D+01 -0.119972D+01 -0.145193D+02
                16            17            18            19            20 
      1  -0.861872D+00  0.160709D+01 -0.132339D+01  0.562492D+00 -0.355458D+01
      2   0.160709D+01 -0.257236D+02 -0.376171D+01 -0.355458D+01 -0.563874D+01
      3  -0.132339D+01 -0.376171D+01  0.202447D+02 -0.224188D+01  0.667179D+00
                21            22            23            24            25 
      1  -0.224188D+01 -0.124612D+01  0.574154D+01  0.736577D+01 -0.855782D+00
      2   0.667179D+00  0.574154D+01 -0.251442D+02 -0.499917D+02  0.232576D+01
      3   0.261859D+01  0.736577D+01 -0.499917D+02 -0.690679D+02  0.371195D+01
                26            27            28            29            30 
      1   0.232576D+01  0.371195D+01 -0.562492D+00  0.355458D+01 -0.224188D+01
      2  -0.321276D+02 -0.794578D+01  0.355458D+01  0.563874D+01  0.667179D+00
      3  -0.794578D+01 -0.257993D+02 -0.224188D+01  0.667179D+00 -0.261859D+01
                31            32            33            34            35 
      1   0.124612D+01 -0.574154D+01  0.736577D+01 -0.855782D+00  0.232576D+01
      2  -0.574154D+01  0.251442D+02 -0.499917D+02  0.232576D+01 -0.321276D+02
      3   0.736577D+01 -0.499917D+02  0.690679D+02 -0.371195D+01  0.794578D+01
                36            37            38            39            40 
      1  -0.371195D+01 -0.255289D+00  0.136856D+01  0.506016D+00 -0.810054D+00
      2   0.794578D+01  0.136856D+01 -0.871542D+01  0.402069D+00  0.661403D-01
      3  -0.257993D+02  0.506016D+00  0.402069D+00  0.423643D+01  0.127392D+01
                41            42            43            44            45 
      1   0.661403D-01  0.127392D+01 -0.861872D+00  0.160709D+01  0.132339D+01
      2  -0.127954D+02 -0.119972D+01  0.160709D+01 -0.257236D+02  0.376171D+01
      3  -0.119972D+01  0.145193D+02  0.132339D+01  0.376171D+01  0.202447D+02
                46            47            48            49            50 
      1  -0.112755D+01  0.174510D+01  0.783273D+01 -0.381492D+01 -0.141213D+01
      2   0.174510D+01 -0.579870D+01 -0.688062D+00 -0.141213D+01  0.256515D+02
      3   0.783273D+01 -0.688062D+00  0.353102D+01  0.258410D+01  0.240874D+00
                51            52            53            54            55 
      1   0.258410D+01  0.132064D+01 -0.124399D+01  0.116249D+01  0.198848D+00
      2   0.240874D+00 -0.124399D+01  0.277661D+02  0.118166D+01 -0.421070D+00
      3  -0.343193D+02  0.116249D+01  0.118166D+01 -0.759764D+01 -0.963266D+00
                56            57            58            59            60 
      1  -0.421070D+00 -0.963266D+00 -0.651119D-01 -0.138526D+00  0.183553D+00
      2   0.177651D+00  0.671840D-01 -0.138526D+00 -0.968490D+00  0.141988D+01
      3   0.671840D-01 -0.819275D+00  0.183553D+00  0.141988D+01 -0.223098D+01
                61            62            63            64            65 
      1   0.605372D+00 -0.518765D-03 -0.481456D+00 -0.159123D+01  0.459368D+01
      2  -0.518765D-03  0.184607D+01 -0.100022D+01  0.459368D+01 -0.375293D+00
      3  -0.481456D+00 -0.100022D+01  0.734919D+01  0.661943D+01  0.964932D-01
                66            67            68            69            70 
      1   0.661943D+01  0.189184D+01  0.543435D+00 -0.267587D+01  0.442009D+01
      2   0.964932D-01  0.543435D+00 -0.171568D+02  0.957447D+01 -0.627812D+00
      3   0.526124D-01 -0.267587D+01  0.957447D+01  0.385573D+02  0.172629D+01
                71            72            73            74            75 
      1  -0.627812D+00  0.172629D+01  0.103011D+00 -0.431725D+00 -0.784419D+00
      2   0.218845D+02  0.104569D+01 -0.431725D+00 -0.123459D+00 -0.639786D+00
      3   0.104569D+01 -0.135636D+02 -0.784419D+00 -0.639786D+00 -0.105630D+01
                76            77            78            79            80 
      1   0.338567D+00 -0.486539D+00 -0.470350D+00  0.572462D+00 -0.639462D+00
      2  -0.486539D+00  0.507217D+01  0.446412D+01 -0.639462D+00  0.547404D+01
      3  -0.470350D+00  0.446412D+01  0.444544D+01 -0.100767D+01  0.695714D+01
                81            82            83            84            85 
      1  -0.100767D+01 -0.106704D+01  0.852434D+01  0.273598D+01  0.408595D+01
      2   0.695714D+01  0.852434D+01  0.255751D+00 -0.933126D+00 -0.109112D+01
      3   0.113226D+02  0.273598D+01 -0.933126D+00 -0.275259D+01 -0.198888D+01
                86            87            88            89            90 
      1  -0.109112D+01 -0.198888D+01 -0.251508D+01 -0.426287D+00 -0.326947D+01
      2   0.168514D+02  0.157557D+02 -0.426287D+00 -0.525342D+01  0.176233D+02
      3   0.157557D+02  0.232605D+02 -0.326947D+01  0.176233D+02  0.331115D+02
                91            92            93            94            95 
      1   0.104330D+00 -0.972351D+00 -0.432510D+00  0.598066D+00 -0.707528D+00
      2  -0.972351D+00 -0.958822D+00 -0.238249D+00 -0.707528D+00  0.155087D+02
      3  -0.432510D+00 -0.238249D+00  0.776667D-01  0.906433D-01  0.634921D-01
                96            97            98            99           100 
      1   0.906433D-01 -0.993565D-01  0.930964D-02 -0.142939D+00  0.537932D+00
      2   0.634921D-01  0.930964D-02 -0.328087D+01  0.133029D+01  0.546125D+00
      3  -0.111823D+01 -0.142939D+00  0.133029D+01  0.872022D+00 -0.267983D+01
               101           102           103           104           105 
      1   0.546125D+00 -0.267983D+01 -0.210149D+01  0.207265D+01  0.158120D+01
      2  -0.179408D+01  0.249081D+01  0.207265D+01 -0.172567D+02 -0.213982D+02
      3   0.249081D+01  0.532463D+01  0.158120D+01 -0.213982D+02 -0.118707D+02
               106           107           108           109           110 
      1   0.106853D+00  0.212806D+01  0.291572D+01  0.373612D+00  0.191978D+01
      2   0.212806D+01 -0.197909D+02 -0.222950D+02  0.191978D+01  0.371745D+00
      3   0.291572D+01 -0.222950D+02 -0.317876D+02 -0.336550D+01 -0.330710D+00
               111           112           113           114           115 
      1  -0.336550D+01  0.111830D+01 -0.516671D+01 -0.615043D+01 -0.218296D+01
      2  -0.330710D+00 -0.516671D+01  0.414208D+02  0.473431D+02 -0.947777D+00
      3   0.594097D+00 -0.615043D+01  0.473431D+02  0.680091D+02 -0.775741D+00
               116           117           118           119           120 
      1  -0.947777D+00 -0.775741D+00  0.156260D+00  0.685517D+00 -0.988329D-01
      2   0.104229D+02  0.114463D+02  0.685517D+00  0.319332D+01 -0.513211D+00
      3   0.114463D+02  0.117061D+02 -0.988329D-01 -0.513211D+00 -0.245719D+01
               121           122           123           124           125 
      1   0.600817D+00  0.329956D+00 -0.617965D-01 -0.242741D+00 -0.353269D+00
      2   0.329956D+00  0.690609D+01 -0.508665D+01 -0.353269D+00 -0.151925D+01
      3  -0.617965D-01 -0.508665D+01  0.349149D+01 -0.158598D+00  0.522427D+01
               126           127           128           129           130 
      1  -0.158598D+00 -0.773733D+01  0.345799D+01  0.454366D+01  0.196382D+01
      2   0.522427D+01  0.345799D+01  0.121747D+01 -0.804466D+01 -0.843170D+00
      3  -0.135365D+01  0.454366D+01 -0.804466D+01 -0.117912D+02 -0.221500D+01
               131           132           133           134           135 
      1  -0.843170D+00 -0.221500D+01  0.136945D+01 -0.269749D+01 -0.363512D+01
      2   0.123310D+02  0.446316D+01 -0.269749D+01  0.696909D+01  0.726182D+01
      3   0.446316D+01  0.410085D+01 -0.363512D+01  0.726182D+01  0.236674D+02
               136           137           138           139           140 
      1   0.737637D+01 -0.204409D+01 -0.557500D+01 -0.758705D+00  0.109445D+01
      2  -0.204409D+01  0.116763D+01  0.506284D+01  0.109445D+01 -0.262137D+01
      3  -0.557500D+01  0.506284D+01  0.121042D+02  0.354086D+00 -0.108652D+01
               141           142           143           144           145 
      1   0.354086D+00 -0.359050D+00  0.451181D+00  0.165538D+01  0.593645D+01
      2  -0.108652D+01  0.451181D+00 -0.161726D+01 -0.932619D+00 -0.203109D+01
      3   0.185782D+00  0.165538D+01 -0.932619D+00 -0.584280D+01  0.924298D-01
               146           147           148           149           150 
      1  -0.203109D+01  0.924298D-01 -0.128515D+01 -0.228343D+01  0.722306D-01
      2  -0.270535D+01  0.148053D+01 -0.228343D+01 -0.300338D+01  0.867937D+00
      3   0.148053D+01 -0.269023D+01  0.722306D-01  0.867937D+00  0.785203D+01
               151           152           153           154           155 
      1  -0.225778D+00  0.214651D+00 -0.107176D+01  0.606288D+00  0.171793D+01
      2   0.214651D+00  0.179566D+00  0.303101D+01  0.171793D+01  0.256225D+01
      3  -0.107176D+01  0.303101D+01 -0.549010D+01 -0.551630D+00 -0.859972D+00
               156           157           158           159           160 
      1  -0.551630D+00  0.121181D+01  0.169515D+01 -0.318562D+00 -0.113289D+00
      2  -0.859972D+00  0.169515D+01  0.753709D+01 -0.230372D+01 -0.160629D+00
      3   0.222056D+01 -0.318562D+00 -0.230372D+01  0.220204D+01  0.736858D+00
               161           162           163           164           165 
      1  -0.160629D+00  0.736858D+00 -0.641493D+01  0.176685D+01 -0.143858D+01
      2  -0.524442D+00  0.124922D+01  0.176685D+01 -0.150873D+01  0.633690D+00
      3   0.124922D+01 -0.458734D+00 -0.143858D+01  0.633690D+00 -0.316200D+01
               166           167           168           169           170 
      1   0.798858D+00 -0.918055D+00  0.376017D+00 -0.849084D-02 -0.272851D-01
      2  -0.918055D+00  0.133921D+01 -0.547634D+00 -0.272851D-01 -0.317989D-01
      3   0.376017D+00 -0.547634D+00 -0.873550D+00 -0.963980D+00  0.185121D+00
               171           172           173           174           175 
      1  -0.963980D+00 -0.677205D+01 -0.371930D+00  0.178899D+01  0.177506D+00
      2   0.185121D+00 -0.371930D+00  0.189011D+01 -0.826511D+00  0.171871D+01
      3   0.435879D+00  0.178899D+01 -0.826511D+00  0.464877D+01 -0.580630D+00
               176           177           178           179           180 
      1   0.171871D+01 -0.580630D+00  0.623262D+00 -0.260796D+00  0.236525D+01
      2   0.177025D+01  0.683177D+00 -0.260796D+00  0.771006D+00 -0.597721D+01
      3   0.683177D+00 -0.850093D+01  0.236525D+01 -0.597721D+01  0.266833D+01
               181           182           183           184           185 
      1   0.766775D+01  0.850404D+00 -0.302194D+01 -0.126511D+00  0.743728D+00
      2   0.850404D+00  0.138241D+01 -0.193092D+00  0.743728D+00 -0.201939D+00
      3  -0.302194D+01 -0.193092D+00  0.330208D+01 -0.259852D-01 -0.563486D+00
               186           187           188           189           190 
      1  -0.259852D-01 -0.707746D+00 -0.593036D-01  0.122122D+01 -0.223580D+00
      2  -0.563486D+00 -0.593036D-01 -0.111762D+00  0.815600D+00  0.751842D+00
      3   0.696905D+00  0.122122D+01  0.815600D+00 -0.118074D+01 -0.189125D+01
               191           192           193           194           195 
      1   0.751842D+00 -0.189125D+01  0.558785D+00 -0.684261D+00  0.428169D+00
      2  -0.124741D+01  0.982654D+00 -0.684261D+00  0.255252D+01 -0.337280D+01
      3   0.982654D+00 -0.401603D+01  0.428169D+00 -0.337280D+01  0.613733D+01
               196           197           198           199           200 
      1  -0.949199D+00  0.282691D+00 -0.131552D+01  0.677205D+01  0.371930D+00
      2   0.282691D+00 -0.236705D+01  0.405205D+01  0.371930D+00 -0.189011D+01
      3  -0.131552D+01  0.405205D+01 -0.127247D+02  0.178899D+01 -0.826511D+00
               201           202           203           204           205 
      1   0.178899D+01 -0.177506D+00 -0.171871D+01 -0.580630D+00  0.623262D+00
      2  -0.826511D+00 -0.171871D+01 -0.177025D+01  0.683177D+00 -0.260796D+00
      3  -0.464877D+01 -0.580630D+00  0.683177D+00  0.850093D+01 -0.236525D+01
               206           207           208           209           210 
      1  -0.260796D+00 -0.236525D+01  0.223580D+00 -0.751842D+00 -0.189125D+01
      2   0.771006D+00  0.597721D+01 -0.751842D+00  0.124741D+01  0.982654D+00
      3   0.597721D+01  0.266833D+01 -0.189125D+01  0.982654D+00  0.401603D+01
               211           212           213           214           215 
      1  -0.558785D+00  0.684261D+00  0.428169D+00 -0.949199D+00  0.282691D+00
      2   0.684261D+00 -0.255252D+01 -0.337280D+01  0.282691D+00 -0.236705D+01
      3   0.428169D+00 -0.337280D+01 -0.613733D+01  0.131552D+01 -0.405205D+01
               216           217           218           219           220 
      1   0.131552D+01 -0.766775D+01 -0.850404D+00 -0.302194D+01  0.126511D+00
      2  -0.405205D+01 -0.850404D+00 -0.138241D+01 -0.193092D+00 -0.743728D+00
      3  -0.127247D+02 -0.302194D+01 -0.193092D+00 -0.330208D+01 -0.259852D-01
               221           222           223           224           225 
      1  -0.743728D+00 -0.259852D-01 -0.707746D+00 -0.593036D-01 -0.122122D+01
      2   0.201939D+00 -0.563486D+00 -0.593036D-01 -0.111762D+00 -0.815600D+00
      3  -0.563486D+00 -0.696905D+00 -0.122122D+01 -0.815600D+00 -0.118074D+01
               226           227           228           229           230 
      1  -0.593645D+01  0.203109D+01  0.924297D-01  0.128515D+01  0.228343D+01
      2   0.203109D+01  0.270535D+01  0.148053D+01  0.228343D+01  0.300338D+01
      3   0.924297D-01  0.148053D+01  0.269023D+01  0.722306D-01  0.867938D+00
               231           232           233           234           235 
      1   0.722306D-01 -0.225778D+00  0.214651D+00  0.107176D+01  0.641493D+01
      2   0.867938D+00  0.214651D+00  0.179566D+00 -0.303101D+01 -0.176685D+01
      3  -0.785203D+01  0.107176D+01 -0.303101D+01 -0.549010D+01 -0.143858D+01
               236           237           238           239           240 
      1  -0.176685D+01 -0.143858D+01 -0.798858D+00  0.918055D+00  0.376017D+00
      2   0.150873D+01  0.633690D+00  0.918055D+00 -0.133921D+01 -0.547634D+00
      3   0.633690D+00  0.316200D+01  0.376017D+00 -0.547634D+00  0.873550D+00
               241           242           243           244           245 
      1  -0.849085D-02 -0.272851D-01  0.963980D+00 -0.606288D+00 -0.171793D+01
      2  -0.272851D-01 -0.317989D-01 -0.185121D+00 -0.171793D+01 -0.256225D+01
      3   0.963980D+00 -0.185121D+00  0.435879D+00 -0.551630D+00 -0.859972D+00
               246           247           248           249           250 
      1  -0.551630D+00 -0.121181D+01 -0.169515D+01 -0.318562D+00 -0.113289D+00
      2  -0.859972D+00 -0.169515D+01 -0.753709D+01 -0.230372D+01 -0.160629D+00
      3  -0.222056D+01 -0.318562D+00 -0.230372D+01 -0.220204D+01 -0.736858D+00
               251           252           253           254           255 
      1  -0.160629D+00 -0.736858D+00  0.773733D+01 -0.345799D+01  0.454366D+01
      2  -0.524442D+00 -0.124922D+01 -0.345799D+01 -0.121747D+01 -0.804466D+01
      3  -0.124922D+01 -0.458734D+00  0.454366D+01 -0.804466D+01  0.117912D+02
               256           257           258           259           260 
      1  -0.196382D+01  0.843170D+00 -0.221500D+01  0.136945D+01 -0.269749D+01
      2   0.843170D+00 -0.123310D+02  0.446316D+01 -0.269749D+01  0.696909D+01
      3  -0.221500D+01  0.446316D+01 -0.410085D+01  0.363512D+01 -0.726182D+01
               261           262           263           264           265 
      1   0.363512D+01 -0.737637D+01  0.204409D+01 -0.557500D+01  0.758705D+00
      2  -0.726182D+01  0.204409D+01 -0.116763D+01  0.506284D+01 -0.109445D+01
      3   0.236674D+02 -0.557500D+01  0.506284D+01 -0.121042D+02  0.354086D+00
               266           267           268           269           270 
      1  -0.109445D+01  0.354086D+00 -0.359050D+00  0.451181D+00 -0.165538D+01
      2   0.262137D+01 -0.108652D+01  0.451181D+00 -0.161726D+01  0.932619D+00
      3  -0.108652D+01 -0.185782D+00 -0.165538D+01  0.932619D+00 -0.584280D+01
               271           272           273           274           275 
      1  -0.373611D+00 -0.191978D+01 -0.336550D+01 -0.111830D+01  0.516671D+01
      2  -0.191978D+01 -0.371746D+00 -0.330709D+00  0.516671D+01 -0.414208D+02
      3  -0.336550D+01 -0.330709D+00 -0.594097D+00 -0.615043D+01  0.473431D+02
               276           277           278           279           280 
      1  -0.615043D+01 -0.218296D+01 -0.947777D+00  0.775742D+00 -0.156260D+00
      2   0.473431D+02 -0.947777D+00  0.104229D+02 -0.114463D+02 -0.685517D+00
      3  -0.680091D+02  0.775742D+00 -0.114463D+02  0.117061D+02 -0.988330D-01
               281           282           283           284           285 
      1  -0.685517D+00 -0.988330D-01 -0.600817D+00 -0.329956D+00 -0.617965D-01
      2  -0.319332D+01 -0.513210D+00 -0.329956D+00 -0.690609D+01 -0.508665D+01
      3  -0.513210D+00  0.245719D+01 -0.617965D-01 -0.508665D+01 -0.349149D+01
               286           287           288           289           290 
      1  -0.242741D+00 -0.353269D+00  0.158598D+00 -0.537932D+00 -0.546124D+00
      2  -0.353269D+00 -0.151925D+01 -0.522427D+01 -0.546124D+00  0.179408D+01
      3   0.158598D+00 -0.522427D+01 -0.135365D+01 -0.267983D+01  0.249081D+01
               291           292           293           294           295 
      1  -0.267983D+01  0.210149D+01 -0.207265D+01  0.158120D+01  0.106853D+00
      2   0.249081D+01 -0.207265D+01  0.172567D+02 -0.213982D+02  0.212806D+01
      3  -0.532463D+01  0.158120D+01 -0.213982D+02  0.118707D+02 -0.291572D+01
               296           297           298           299           300 
      1   0.212806D+01 -0.291572D+01  0.106704D+01 -0.852434D+01  0.273598D+01
      2  -0.197909D+02  0.222950D+02 -0.852434D+01 -0.255752D+00 -0.933126D+00
      3   0.222950D+02 -0.317876D+02  0.273598D+01 -0.933126D+00  0.275259D+01
               301           302           303           304           305 
      1  -0.408595D+01  0.109112D+01 -0.198888D+01 -0.251507D+01 -0.426286D+00
      2   0.109112D+01 -0.168514D+02  0.157557D+02 -0.426286D+00 -0.525342D+01
      3  -0.198888D+01  0.157557D+02 -0.232605D+02  0.326947D+01 -0.176233D+02
               306           307           308           309           310 
      1   0.326947D+01 -0.104330D+00  0.972352D+00 -0.432510D+00 -0.598066D+00
      2  -0.176233D+02  0.972352D+00  0.958822D+00 -0.238249D+00  0.707528D+00
      3   0.331115D+02 -0.432510D+00 -0.238249D+00 -0.776666D-01  0.906433D-01
               311           312           313           314           315 
      1   0.707528D+00  0.906433D-01 -0.993565D-01  0.930962D-02  0.142939D+00
      2  -0.155087D+02  0.634921D-01  0.930962D-02 -0.328087D+01 -0.133029D+01
      3   0.634921D-01  0.111823D+01  0.142939D+00 -0.133029D+01  0.872022D+00
               316           317           318           319           320 
      1   0.159123D+01 -0.459368D+01  0.661943D+01 -0.189184D+01 -0.543434D+00
      2  -0.459368D+01  0.375294D+00  0.964929D-01 -0.543434D+00  0.171568D+02
      3   0.661943D+01  0.964929D-01 -0.526122D-01 -0.267587D+01  0.957447D+01
               321           322           323           324           325 
      1  -0.267587D+01  0.442009D+01 -0.627812D+00 -0.172629D+01 -0.103011D+00
      2   0.957447D+01 -0.627812D+00  0.218845D+02 -0.104569D+01  0.431725D+00
      3  -0.385573D+02 -0.172629D+01 -0.104569D+01 -0.135636D+02 -0.784419D+00
               326           327           328           329           330 
      1   0.431725D+00 -0.784419D+00 -0.338567D+00  0.486539D+00 -0.470350D+00
      2   0.123459D+00 -0.639786D+00  0.486539D+00 -0.507217D+01  0.446412D+01
      3  -0.639786D+00  0.105630D+01 -0.470350D+00  0.446412D+01 -0.444544D+01
               331           332           333           334           335 
      1   0.572462D+00 -0.639462D+00  0.100767D+01  0.112755D+01 -0.174510D+01
      2  -0.639462D+00  0.547404D+01 -0.695714D+01 -0.174510D+01  0.579870D+01
      3   0.100767D+01 -0.695714D+01  0.113226D+02  0.783274D+01 -0.688062D+00
               336           337           338           339           340 
      1   0.783274D+01  0.381492D+01  0.141213D+01  0.258410D+01  0.132064D+01
      2  -0.688062D+00  0.141213D+01 -0.256515D+02  0.240874D+00 -0.124399D+01
      3  -0.353102D+01  0.258410D+01  0.240874D+00  0.343193D+02 -0.116249D+01
               341           342           343           344           345 
      1  -0.124399D+01 -0.116249D+01 -0.198848D+00  0.421070D+00 -0.963266D+00
      2   0.277661D+02 -0.118166D+01  0.421070D+00 -0.177651D+00  0.671842D-01
      3  -0.118166D+01 -0.759764D+01 -0.963266D+00  0.671842D-01  0.819275D+00
               346           347           348           349           350 
      1   0.651119D-01  0.138526D+00  0.183553D+00  0.605372D+00 -0.518737D-03
      2   0.138526D+00  0.968490D+00  0.141988D+01 -0.518737D-03  0.184607D+01
      3   0.183553D+00  0.141988D+01  0.223098D+01  0.481456D+00  0.100022D+01
               351 
      1   0.481456D+00
      2   0.100022D+01
      3   0.734919D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273243D-04 -0.918923D-03  0.224607D+02  0.195682D-03 -0.399880D-03
      2   0.655287D-04  0.219186D-03 -0.242081D+03 -0.227080D-03 -0.398271D-03
      3   0.190930D+02 -0.501147D+03 -0.318206D-04 -0.232965D+02 -0.941606D+02
                 6             7             8             9            10 
      1  -0.379829D+02 -0.138412D+02 -0.435795D+03 -0.588182D-03 -0.267745D+02
      2  -0.942736D+02  0.179072D+03 -0.209307D+04 -0.791549D-03 -0.420906D+01
      3   0.352711D-03 -0.196836D-04 -0.436602D-03 -0.502058D+03 -0.100369D+02
                11            12            13            14            15 
      1   0.518558D+02  0.148325D+02 -0.204202D+02 -0.337048D+03  0.154498D+03
      2  -0.426260D+03 -0.588144D+02  0.134224D+03 -0.133308D+04  0.354945D+02
      3  -0.204548D+01  0.339127D+03 -0.562266D+01  0.997199D+02 -0.281179D+03
                16            17            18            19            20 
      1   0.153661D+01 -0.113641D+03 -0.150469D+03  0.445265D+02 -0.981766D+02
      2   0.541998D+02 -0.582602D+03  0.120065D+03  0.954869D+01  0.524227D+03
      3  -0.957594D+01  0.189032D+03 -0.292867D+03  0.168213D+02 -0.324889D+02
                21            22            23            24            25 
      1  -0.119989D+02 -0.522094D+02 -0.385590D+01  0.363004D+03  0.280442D+01
      2   0.147180D+03  0.135605D+03 -0.152820D+04 -0.172672D+03 -0.191596D+03
      3  -0.555255D+03  0.472754D+02 -0.323242D+03 -0.385045D+03  0.732178D+01
                26            27            28            29            30 
      1   0.423916D+03  0.607092D+02 -0.445264D+02  0.981767D+02 -0.119989D+02
      2   0.193374D+04 -0.458823D+02 -0.954866D+01 -0.524227D+03  0.147180D+03
      3  -0.474790D+02  0.477223D+03  0.168212D+02 -0.324888D+02  0.555255D+03
                31            32            33            34            35 
      1   0.522094D+02  0.385570D+01  0.363004D+03  0.280438D+01  0.423916D+03
      2  -0.135605D+03  0.152820D+04 -0.172672D+03 -0.191596D+03  0.193374D+04
      3   0.472753D+02 -0.323242D+03  0.385045D+03 -0.732184D+01  0.474788D+02
                36            37            38            39            40 
      1  -0.607092D+02  0.267746D+02 -0.518559D+02  0.148324D+02  0.204202D+02
      2   0.458826D+02  0.420907D+01  0.426260D+03 -0.588145D+02 -0.134224D+03
      3   0.477223D+03 -0.100369D+02 -0.204539D+01 -0.339127D+03 -0.562270D+01
                41            42            43            44            45 
      1   0.337048D+03  0.154498D+03  0.153660D+01 -0.113641D+03  0.150469D+03
      2   0.133308D+04  0.354945D+02  0.541998D+02 -0.582602D+03 -0.120065D+03
      3   0.997198D+02  0.281179D+03  0.957598D+01 -0.189032D+03 -0.292867D+03
                46            47            48            49            50 
      1  -0.431703D+02 -0.519840D+01 -0.187739D+02 -0.213209D+02  0.199753D+02
      2  -0.222264D+02  0.257805D+03  0.545856D+02  0.738433D+02 -0.407221D+03
      3  -0.183330D+01  0.139802D+03 -0.472088D+02  0.184763D+02 -0.135519D+03
                51            52            53            54            55 
      1   0.207328D+03 -0.117385D+02  0.748330D+02  0.736032D+02  0.393553D+01
      2  -0.932427D+02  0.129512D+02 -0.922611D+02 -0.121963D+03  0.128697D+01
      3  -0.841580D+02  0.252882D+02 -0.201834D+03  0.306397D+02 -0.225344D+01
                56            57            58            59            60 
      1  -0.146799D+01  0.292525D+01 -0.867445D+00 -0.220769D+02  0.228541D+02
      2  -0.332284D+02 -0.549243D+01  0.128474D+01  0.299124D+01  0.121216D+01
      3  -0.477696D+00  0.353573D+02  0.801564D+00 -0.410889D+01  0.630113D+01
                61            62            63            64            65 
      1   0.259628D+01  0.762031D+01 -0.325866D+02 -0.160253D+02  0.703519D+00
      2  -0.316141D+01 -0.198557D+02 -0.404405D+01  0.300561D+01  0.453995D+02
      3   0.126513D+01  0.338893D+00 -0.303636D+01  0.232400D+01  0.191039D+02
                66            67            68            69            70 
      1   0.543377D+00  0.188648D+02 -0.109262D+03 -0.205540D+03 -0.109998D+02
      2  -0.619807D+01 -0.226702D+02  0.109443D+03  0.104376D+03  0.140833D+02
      3  -0.170145D+02 -0.278738D+02  0.189374D+03 -0.119323D+02  0.281414D+02
                71            72            73            74            75 
      1   0.408780D+02  0.808619D+02  0.323081D+01  0.740461D+00  0.256161D+01
      2  -0.240461D+03 -0.541979D+02  0.126247D+01 -0.345369D+02 -0.386150D+00
      3  -0.933442D+02 -0.138558D+02 -0.689686D+00 -0.289037D+02  0.222595D+01
                76            77            78            79            80 
      1   0.266403D+00 -0.579578D+01 -0.414308D+01  0.226963D+01 -0.128970D+02
      2   0.813787D+00 -0.287618D+02  0.278996D+00 -0.269064D+01 -0.115431D+02
      3   0.237044D+01  0.689228D+00 -0.110905D+02  0.734974D+01 -0.450651D+01
                81            82            83            84            85 
      1  -0.276960D+02  0.176536D+01  0.315623D+01  0.112134D+02  0.793301D+01
      2  -0.374456D+01 -0.423684D+01 -0.165339D+02  0.113181D+02 -0.148641D+02
      3  -0.287144D+01 -0.339270D+01  0.253138D+02  0.336056D+02  0.571482D+01
                86            87            88            89            90 
      1  -0.585784D+02 -0.925496D+02  0.154445D+02 -0.100826D+03 -0.118467D+03
      2   0.396976D+02  0.483876D+02 -0.100099D+02  0.155967D+03  0.966523D+02
      3   0.821239D+02 -0.740370D+01 -0.404981D+02  0.187149D+03 -0.487864D+01
                91            92            93            94            95 
      1   0.175426D+01  0.300180D+01 -0.428339D+00 -0.205495D+01  0.244883D+02
      2  -0.234919D+00  0.179686D+02  0.281533D+01  0.328228D+01 -0.206693D+02
      3   0.220988D+01 -0.242477D+02 -0.267056D+02  0.634318D+01 -0.151724D+01
                96            97            98            99           100 
      1   0.484326D+01  0.782240D+00 -0.118361D+02 -0.874418D+00  0.147374D+02
      2  -0.579596D+00 -0.148163D+01 -0.408416D+01  0.136114D+01 -0.154680D+02
      3  -0.617276D+01 -0.156097D+01  0.175369D+01 -0.253058D+01  0.316558D+01
               101           102           103           104           105 
      1  -0.190746D+02 -0.300803D+02  0.547249D+00  0.610919D+02 -0.725185D+02
      2   0.278137D+03  0.118616D+03 -0.361240D+01  0.301623D+02 -0.359543D+02
      3  -0.499777D+02 -0.113730D+03  0.151122D+02 -0.107961D+03 -0.279926D+01
               106           107           108           109           110 
      1  -0.137107D+02 -0.249239D+01  0.176389D+03  0.906857D+01  0.702804D+01
      2   0.364327D+02 -0.377769D+03 -0.945584D+02  0.649811D+01 -0.180524D+03
      3   0.227411D+02 -0.155646D+03 -0.230249D+02  0.103536D+01  0.306945D+02
               111           112           113           114           115 
      1   0.798792D+01  0.339904D+02 -0.203988D+03 -0.407738D+03  0.358287D+01
      2   0.308256D+01 -0.400459D+01  0.121777D+03  0.149723D+03 -0.262567D+02
      3   0.304481D+02 -0.344431D+02  0.238274D+03  0.429241D+02 -0.464335D+02
               116           117           118           119           120 
      1   0.124785D+02 -0.365023D+02 -0.733853D+01  0.100270D+02  0.136846D+02
      2   0.378298D+03  0.146198D+03  0.812617D+01 -0.205990D+03 -0.647379D+02
      3   0.250984D+03  0.231075D+02 -0.540109D+01  0.409103D+02  0.125971D+03
               121           122           123           124           125 
      1  -0.191360D+01 -0.620715D+01 -0.973742D+01  0.229258D+00 -0.147563D+02
      2   0.178146D+02 -0.125215D+03  0.707477D+01  0.379568D+01 -0.321153D+02
      3   0.389958D+01  0.588874D+01 -0.437456D+02 -0.526554D+01  0.148760D+01
               126           127           128           129           130 
      1  -0.317079D+01 -0.243750D+02  0.481825D+02  0.414520D+02  0.543825D+01
      2  -0.422121D+01 -0.189560D+02 -0.355582D+02  0.454101D+01  0.360643D+02
      3   0.108553D+02 -0.136147D+02  0.806678D+02  0.111681D+03  0.715606D+01
               131           132           133           134           135 
      1  -0.115087D+03 -0.275909D+02  0.139014D+02 -0.414343D+02 -0.768373D+02
      2  -0.374210D+03  0.120851D+01  0.103193D+02 -0.138529D+03  0.132298D+02
      3  -0.184502D+02 -0.639366D+02  0.343089D+01 -0.159197D+02  0.120492D+02
               136           137           138           139           140 
      1   0.162433D+02 -0.123063D+02 -0.415054D+02 -0.334601D+01  0.138869D+02
      2   0.141195D+02  0.220406D+01  0.665691D+01 -0.180763D+01  0.168705D+02
      3   0.398016D+01 -0.134697D+02 -0.952430D+01  0.714716D-01  0.107145D+01
               141           142           143           144           145 
      1  -0.165829D+01 -0.318251D+01  0.877827D+01  0.159779D+02  0.681931D+01
      2   0.399673D+01 -0.352840D+01  0.444009D+02 -0.355991D+01  0.235672D+02
      3  -0.127332D+02  0.147040D+01 -0.200742D+02 -0.883118D+01  0.108399D+02
               146           147           148           149           150 
      1   0.443521D+01 -0.257674D+01  0.113394D+02  0.247346D+02 -0.249922D+02
      2  -0.602875D+02  0.840726D+01 -0.126459D+02  0.402990D+02 -0.484055D+00
      3  -0.105328D+02  0.914219D+01 -0.171505D+01  0.164076D+02  0.328712D+02
               151           152           153           154           155 
      1   0.180737D+01  0.515960D+01 -0.611859D+01 -0.601902D+01 -0.103785D+02
      2  -0.699474D+01  0.252064D+02 -0.564057D+01  0.165459D+01  0.663363D+01
      3   0.277154D+00  0.119586D+02  0.341080D+02  0.123154D+01  0.417408D+01
               156           157           158           159           160 
      1  -0.237507D+01 -0.663870D+01 -0.303766D+02  0.539974D+00 -0.107622D+01
      2  -0.821146D+00  0.511051D+01 -0.169403D+01  0.755866D+00 -0.469496D+00
      3  -0.298842D+01  0.507757D+01  0.414174D+01 -0.178852D+01 -0.225419D+00
               161           162           163           164           165 
      1  -0.105083D+01 -0.611506D+01 -0.446688D+01  0.604692D+01  0.516595D+01
      2  -0.187513D+01  0.200755D+01 -0.228741D+02  0.880975D+01 -0.943662D+00
      3  -0.253198D+01 -0.325153D+01 -0.121585D+02 -0.848352D+00 -0.980900D+00
               166           167           168           169           170 
      1   0.306803D+01 -0.473246D+01  0.260530D+01  0.166294D+01  0.847801D+00
      2   0.254929D+01 -0.838941D+00  0.492680D+00 -0.551670D+00 -0.652149D+01
      3   0.221850D+01 -0.101315D+01  0.964534D-01  0.282008D+00 -0.182885D+01
               171           172           173           174           175 
      1  -0.340435D+01  0.297648D+00 -0.606814D+01 -0.185172D+01 -0.959106D+01
      2  -0.431352D+01 -0.347159D+02  0.180714D+02  0.152684D+02  0.403176D+01
      3   0.233549D+01 -0.510178D+01 -0.388835D+01  0.999013D+01  0.148976D+01
               176           177           178           179           180 
      1  -0.187086D+02  0.485360D+01 -0.108743D+01  0.936856D+01  0.347827D+02
      2  -0.932703D+01 -0.613900D+01  0.101606D+01  0.595446D+01  0.819107D+01
      3  -0.391957D+01 -0.134481D+02  0.813966D+00  0.172402D+00  0.148852D+02
               181           182           183           184           185 
      1  -0.191687D+01 -0.886925D+01 -0.202696D+01 -0.372740D+01  0.262433D+01
      2   0.364241D+02  0.351192D+01 -0.911509D+01 -0.717686D+00  0.215924D+01
      3   0.665118D+01 -0.386056D+01 -0.429712D+01  0.651977D+00  0.193164D+01
               186           187           188           189           190 
      1   0.272260D+00 -0.692172D+00  0.284204D+00 -0.410276D+01 -0.206412D+01
      2  -0.158274D+00 -0.345471D+01 -0.161030D+01  0.706318D+01 -0.158628D+01
      3   0.896220D+00 -0.582564D+00  0.149420D+01 -0.459248D+00 -0.537158D+00
               191           192           193           194           195 
      1   0.633154D+01  0.205644D-01  0.341009D+01 -0.103979D+02  0.860991D+01
      2   0.322842D+01 -0.887157D+01  0.347278D+01 -0.246561D+01  0.336603D+01
      3  -0.125340D+01 -0.544816D+01  0.194437D+01  0.393080D+00  0.410315D+01
               196           197           198           199           200 
      1   0.219668D-03  0.145690D+02 -0.804517D+01 -0.297664D+00  0.606821D+01
      2  -0.944088D+01  0.149856D+02 -0.967326D+01  0.347158D+02 -0.180714D+02
      3  -0.211168D+01  0.289144D+01  0.143242D+01 -0.510178D+01 -0.388837D+01
               201           202           203           204           205 
      1  -0.185176D+01  0.959105D+01  0.187086D+02  0.485357D+01 -0.108743D+01
      2   0.152684D+02 -0.403174D+01  0.932702D+01 -0.613899D+01  0.101607D+01
      3  -0.999013D+01  0.148977D+01 -0.391956D+01  0.134481D+02 -0.813976D+00
               206           207           208           209           210 
      1   0.936855D+01 -0.347827D+02  0.206412D+01 -0.633155D+01  0.205598D-01
      2   0.595444D+01 -0.819107D+01  0.158628D+01 -0.322842D+01 -0.887157D+01
      3  -0.172396D+00  0.148852D+02 -0.537159D+00 -0.125340D+01  0.544816D+01
               211           212           213           214           215 
      1  -0.341009D+01  0.103979D+02  0.860990D+01  0.218045D-03  0.145690D+02
      2  -0.347278D+01  0.246561D+01  0.336602D+01 -0.944088D+01  0.149856D+02
      3   0.194437D+01  0.393075D+00 -0.410315D+01  0.211168D+01 -0.289145D+01
               216           217           218           219           220 
      1   0.804518D+01  0.191687D+01  0.886926D+01 -0.202695D+01  0.372741D+01
      2   0.967326D+01 -0.364241D+02 -0.351190D+01 -0.911509D+01  0.717679D+00
      3   0.143242D+01  0.665117D+01 -0.386056D+01  0.429712D+01  0.651980D+00
               221           222           223           224           225 
      1  -0.262432D+01  0.272267D+00 -0.692178D+00  0.284207D+00  0.410276D+01
      2  -0.215925D+01 -0.158272D+00 -0.345471D+01 -0.161031D+01 -0.706316D+01
      3   0.193164D+01 -0.896221D+00  0.582565D+00 -0.149420D+01 -0.459250D+00
               226           227           228           229           230 
      1  -0.681933D+01 -0.443524D+01 -0.257673D+01 -0.113394D+02 -0.247346D+02
      2  -0.235672D+02  0.602875D+02  0.840727D+01  0.126459D+02 -0.402991D+02
      3   0.108399D+02 -0.105328D+02 -0.914219D+01 -0.171507D+01  0.164077D+02
               231           232           233           234           235 
      1  -0.249922D+02  0.180737D+01  0.515967D+01  0.611860D+01  0.446690D+01
      2  -0.484053D+00 -0.699475D+01  0.252064D+02  0.564059D+01  0.228741D+02
      3  -0.328712D+02 -0.277138D+00 -0.119586D+02  0.341080D+02 -0.121585D+02
               236           237           238           239           240 
      1  -0.604692D+01  0.516595D+01 -0.306803D+01  0.473247D+01  0.260530D+01
      2  -0.880976D+01 -0.943663D+00 -0.254930D+01  0.838951D+00  0.492676D+00
      3  -0.848348D+00  0.980899D+00  0.221850D+01 -0.101316D+01 -0.964554D-01
               241           242           243           244           245 
      1   0.166294D+01  0.847816D+00  0.340436D+01  0.601902D+01  0.103785D+02
      2  -0.551666D+00 -0.652149D+01  0.431352D+01 -0.165458D+01 -0.663363D+01
      3  -0.282007D+00  0.182886D+01  0.233549D+01  0.123153D+01  0.417408D+01
               246           247           248           249           250 
      1  -0.237506D+01  0.663869D+01  0.303765D+02  0.539984D+00 -0.107622D+01
      2  -0.821141D+00 -0.511051D+01  0.169403D+01  0.755868D+00 -0.469497D+00
      3   0.298842D+01  0.507757D+01  0.414174D+01  0.178852D+01  0.225419D+00
               251           252           253           254           255 
      1  -0.105082D+01  0.611506D+01  0.243749D+02 -0.481818D+02  0.414520D+02
      2  -0.187513D+01 -0.200754D+01  0.189559D+02  0.355579D+02  0.454098D+01
      3   0.253198D+01 -0.325153D+01 -0.136145D+02  0.806678D+02 -0.111681D+03
               256           257           258           259           260 
      1  -0.543824D+01  0.115087D+03 -0.275908D+02  0.139015D+02 -0.414342D+02
      2  -0.360640D+02  0.374210D+03  0.120864D+01  0.103194D+02 -0.138530D+03
      3   0.715588D+01 -0.184505D+02  0.639366D+02 -0.343089D+01  0.159196D+02
               261           262           263           264           265 
      1   0.768373D+02 -0.162433D+02  0.123063D+02 -0.415054D+02  0.334601D+01
      2  -0.132292D+02 -0.141195D+02 -0.220407D+01  0.665690D+01  0.180763D+01
      3   0.120489D+02  0.398016D+01 -0.134697D+02  0.952431D+01  0.714692D-01
               266           267           268           269           270 
      1  -0.138869D+02 -0.165829D+01 -0.318251D+01  0.877826D+01 -0.159779D+02
      2  -0.168705D+02  0.399674D+01 -0.352840D+01  0.444009D+02  0.355994D+01
      3   0.107144D+01  0.127332D+02 -0.147040D+01  0.200742D+02 -0.883118D+01
               271           272           273           274           275 
      1  -0.906854D+01 -0.702723D+01  0.798796D+01 -0.339904D+02  0.203989D+03
      2  -0.649813D+01  0.180524D+03  0.308261D+01  0.400464D+01 -0.121778D+03
      3   0.103542D+01  0.306945D+02 -0.304481D+02 -0.344432D+02  0.238275D+03
               276           277           278           279           280 
      1  -0.407737D+03  0.358291D+01  0.124786D+02  0.365021D+02  0.733854D+01
      2   0.149723D+03 -0.262567D+02  0.378298D+03 -0.146198D+03 -0.812617D+01
      3  -0.429244D+02  0.464336D+02 -0.250983D+03  0.231073D+02 -0.540109D+01
               281           282           283           284           285 
      1  -0.100270D+02  0.136846D+02  0.191360D+01  0.620716D+01 -0.973741D+01
      2   0.205990D+03 -0.647379D+02 -0.178146D+02  0.125215D+03  0.707479D+01
      3   0.409103D+02 -0.125971D+03  0.389958D+01  0.588875D+01  0.437456D+02
               286           287           288           289           290 
      1   0.229251D+00 -0.147563D+02  0.317080D+01 -0.147375D+02  0.190742D+02
      2   0.379569D+01 -0.321153D+02  0.422122D+01  0.154680D+02 -0.278137D+03
      3   0.526554D+01 -0.148760D+01  0.108553D+02  0.316555D+01 -0.499775D+02
               291           292           293           294           295 
      1  -0.300802D+02 -0.547203D+00 -0.610922D+02 -0.725185D+02 -0.137107D+02
      2   0.118616D+03  0.361234D+01 -0.301621D+02 -0.359543D+02  0.364327D+02
      3   0.113730D+03  0.151121D+02 -0.107961D+03  0.279926D+01 -0.227411D+02
               296           297           298           299           300 
      1  -0.249249D+01 -0.176389D+03 -0.176531D+01 -0.315643D+01  0.112132D+02
      2  -0.377769D+03  0.945582D+02  0.423684D+01  0.165340D+02  0.113180D+02
      3   0.155646D+03 -0.230248D+02 -0.339269D+01  0.253138D+02 -0.336056D+02
               301           302           303           304           305 
      1  -0.793305D+01  0.585785D+02 -0.925495D+02  0.154445D+02 -0.100826D+03
      2   0.148641D+02 -0.396975D+02  0.483875D+02 -0.100099D+02  0.155967D+03
      3   0.571486D+01  0.821240D+02  0.740364D+01  0.404981D+02 -0.187149D+03
               306           307           308           309           310 
      1   0.118467D+03 -0.175429D+01 -0.300180D+01 -0.428343D+00  0.205495D+01
      2  -0.966523D+02  0.234920D+00 -0.179686D+02  0.281534D+01 -0.328228D+01
      3  -0.487873D+01  0.220988D+01 -0.242477D+02  0.267056D+02  0.634318D+01
               311           312           313           314           315 
      1  -0.244883D+02  0.484326D+01  0.782242D+00 -0.118361D+02  0.874420D+00
      2   0.206693D+02 -0.579596D+00 -0.148163D+01 -0.408416D+01 -0.136114D+01
      3  -0.151725D+01  0.617276D+01  0.156096D+01 -0.175369D+01 -0.253059D+01
               316           317           318           319           320 
      1   0.160255D+02 -0.703565D+00  0.543140D+00 -0.188648D+02  0.109262D+03
      2  -0.300561D+01 -0.453995D+02 -0.619809D+01  0.226703D+02 -0.109443D+03
      3   0.232399D+01  0.191039D+02  0.170144D+02 -0.278738D+02  0.189374D+03
               321           322           323           324           325 
      1  -0.205540D+03 -0.109998D+02  0.408779D+02 -0.808619D+02 -0.323083D+01
      2   0.104376D+03  0.140833D+02 -0.240461D+03  0.541978D+02 -0.126247D+01
      3   0.119323D+02 -0.281415D+02  0.933443D+02 -0.138558D+02 -0.689686D+00
               326           327           328           329           330 
      1  -0.740477D+00  0.256163D+01 -0.266401D+00  0.579578D+01 -0.414308D+01
      2   0.345369D+02 -0.386147D+00 -0.813789D+00  0.287618D+02  0.278998D+00
      3  -0.289037D+02 -0.222595D+01  0.237044D+01  0.689226D+00  0.110905D+02
               331           332           333           334           335 
      1   0.226963D+01 -0.128970D+02  0.276960D+02  0.431700D+02  0.519848D+01
      2  -0.269064D+01 -0.115431D+02  0.374456D+01  0.222264D+02 -0.257805D+03
      3  -0.734974D+01  0.450651D+01 -0.287144D+01 -0.183328D+01  0.139802D+03
               336           337           338           339           340 
      1  -0.187739D+02  0.213208D+02 -0.199754D+02  0.207328D+03 -0.117384D+02
      2   0.545856D+02 -0.738434D+02  0.407221D+03 -0.932428D+02  0.129512D+02
      3   0.472089D+02  0.184762D+02 -0.135519D+03  0.841579D+02 -0.252882D+02
               341           342           343           344           345 
      1   0.748330D+02 -0.736032D+02 -0.393551D+01  0.146802D+01  0.292526D+01
      2  -0.922612D+02  0.121963D+03 -0.128697D+01  0.332284D+02 -0.549244D+01
      3   0.201834D+03  0.306398D+02 -0.225344D+01 -0.477688D+00 -0.353573D+02
               346           347           348           349           350 
      1   0.867446D+00  0.220769D+02  0.228541D+02  0.259629D+01  0.762033D+01
      2  -0.128475D+01 -0.299123D+01  0.121215D+01 -0.316141D+01 -0.198558D+02
      3   0.801567D+00 -0.410890D+01 -0.630113D+01 -0.126513D+01 -0.338892D+00
               351 
      1   0.325866D+02
      2   0.404407D+01
      3  -0.303636D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.496996D+02 -0.292889D+01  0.000000D+00  0.240435D+01  0.435505D+01
      2  -0.351433D+02  0.206714D+01 -0.439303D-05 -0.173295D+01  0.154715D+01
      3  -0.145563D+02  0.861752D+00  0.344817D-05 -0.671400D+00 -0.590220D+01
      4   0.312758D+01  0.837890D+01  0.000000D+00 -0.102439D+02  0.139943D+01
      5  -0.188611D-05 -0.320581D-05 -0.471650D+01  0.000000D+00 -0.156342D-05
      6   0.000000D+00 -0.334459D-05  0.379337D+01  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1  -0.267784D-05  0.354329D-05  0.000000D+00  0.309420D+02  0.112762D+01
      2   0.000000D+00  0.000000D+00  0.000000D+00 -0.155938D+01 -0.591799D+01
      3   0.235991D-05 -0.317809D-05  0.000000D+00 -0.293826D+02  0.479037D+01
      4   0.000000D+00  0.000000D+00  0.111743D-05  0.110846D+02  0.290535D-01
      5  -0.980267D+00  0.594611D+01 -0.250530D+02 -0.177160D-05  0.127763D+01
      6  -0.212636D+02  0.749947D+01  0.858844D+01 -0.164549D-05 -0.724930D+01
                11            12            13            14            15 
      1  -0.547814D+01  0.563386D+01 -0.515745D+01  0.791054D+01  0.140319D+02
      2   0.111999D+02 -0.156790D+01  0.216590D+01  0.192287D+00 -0.783154D+00
      3  -0.572173D+01 -0.406595D+01  0.299155D+01 -0.810283D+01 -0.132488D+02
      4  -0.649086D+01 -0.299206D+01  0.162143D+02  0.606026D-01  0.811920D+01
      5  -0.125142D+02 -0.164319D+01  0.926852D+01 -0.143996D+02  0.216822D+01
      6   0.351248D+02 -0.467154D+01  0.348780D+01 -0.823245D+00 -0.522846D+02
                16            17            18            19            20 
      1   0.469261D+00  0.448556D+02 -0.165474D+02  0.204716D+01  0.174796D+01
      2   0.542519D+01 -0.968084D+02 -0.372494D+02 -0.467606D+01  0.447438D+01
      3  -0.589445D+01  0.519527D+02  0.537968D+02  0.262890D+01 -0.622234D+01
      4   0.232079D+01  0.493573D+01 -0.727897D+00  0.294760D+01 -0.589862D+01
      5  -0.628090D+01  0.176674D+01 -0.258482D+01  0.128626D+01  0.134645D+02
      6  -0.101262D+01 -0.121108D+03  0.830765D+02 -0.113952D+02 -0.253592D+02
                21            22            23            24            25 
      1  -0.320731D+01 -0.110671D+02  0.729541D+02  0.100706D+03 -0.701061D+01
      2   0.733424D+01  0.124584D+02 -0.690967D+02 -0.984939D+02  0.100365D+02
      3  -0.412693D+01 -0.139134D+01 -0.385748D+01 -0.221168D+01 -0.302593D+01
      4   0.121426D+00  0.119585D+02  0.190860D+02  0.241935D+02  0.483094D+01
      5   0.136778D+02  0.224447D+02 -0.746322D+01  0.117584D+02  0.159674D+02
      6  -0.202439D+02  0.382128D+02 -0.249916D+03 -0.373907D+03  0.143169D+02
                26            27            28            29            30 
      1  -0.135021D+01  0.272961D+02  0.204716D+01  0.174796D+01  0.320731D+01
      2  -0.179218D+02 -0.656083D+02 -0.467607D+01  0.447438D+01 -0.733424D+01
      3   0.192721D+02  0.383122D+02  0.262890D+01 -0.622235D+01  0.412693D+01
      4   0.141572D+01 -0.540871D+00  0.294761D+01 -0.589862D+01 -0.121427D+00
      5   0.166474D+02 -0.767712D+01 -0.128626D+01 -0.134645D+02  0.136778D+02
      6  -0.527392D+02 -0.954481D+02  0.113952D+02  0.253592D+02 -0.202439D+02
                31            32            33            34            35 
      1  -0.110671D+02  0.729541D+02 -0.100706D+03  0.701061D+01  0.135021D+01
      2   0.124584D+02 -0.690967D+02  0.984939D+02 -0.100365D+02  0.179218D+02
      3  -0.139134D+01 -0.385748D+01  0.221168D+01  0.302594D+01 -0.192721D+02
      4   0.119585D+02  0.190860D+02 -0.241935D+02 -0.483094D+01 -0.141573D+01
      5  -0.224447D+02  0.746322D+01  0.117584D+02  0.159674D+02  0.166474D+02
      6  -0.382128D+02  0.249916D+03 -0.373907D+03  0.143169D+02 -0.527392D+02
                36            37            38            39            40 
      1   0.272961D+02  0.112762D+01 -0.547814D+01 -0.563386D+01 -0.515745D+01
      2  -0.656083D+02 -0.591799D+01  0.111999D+02  0.156790D+01  0.216591D+01
      3   0.383122D+02  0.479037D+01 -0.572173D+01  0.406595D+01  0.299155D+01
      4  -0.540872D+00  0.290532D-01 -0.649086D+01  0.299206D+01  0.162143D+02
      5   0.767712D+01 -0.127762D+01  0.125142D+02 -0.164319D+01 -0.926852D+01
      6   0.954481D+02  0.724931D+01 -0.351248D+02 -0.467154D+01 -0.348780D+01
                41            42            43            44            45 
      1   0.791054D+01 -0.140319D+02 -0.469261D+00 -0.448556D+02 -0.165474D+02
      2   0.192286D+00  0.783154D+00 -0.542519D+01  0.968084D+02 -0.372494D+02
      3  -0.810283D+01  0.132488D+02  0.589445D+01 -0.519527D+02  0.537968D+02
      4   0.606019D-01 -0.811920D+01 -0.232079D+01 -0.493573D+01 -0.727897D+00
      5   0.143996D+02  0.216822D+01 -0.628090D+01  0.176674D+01  0.258482D+01
      6   0.823244D+00 -0.522846D+02 -0.101262D+01 -0.121108D+03 -0.830765D+02
                46            47            48            49            50 
      1   0.591282D+01  0.557407D+01 -0.887387D+01  0.448824D+01 -0.333803D+02
      2  -0.260209D+02 -0.146460D+02 -0.538190D+01 -0.143411D+02  0.119343D+03
      3   0.201081D+02  0.907192D+01  0.142558D+02  0.985287D+01 -0.859630D+02
      4  -0.157145D+01  0.805202D+01  0.316729D+02 -0.167183D+02 -0.530759D+01
      5  -0.616661D+01  0.181295D+02  0.624275D+02 -0.285738D+02 -0.772460D+01
      6   0.307478D+02 -0.175977D+02  0.125457D+02  0.410601D+01  0.735252D+02
                51            52            53            54            55 
      1   0.135091D+02  0.245677D+00 -0.425875D+02  0.312680D+01  0.109412D+01
      2   0.114786D+03 -0.489233D+01  0.739365D+02  0.495407D+01 -0.557566D+00
      3  -0.128295D+03  0.464665D+01 -0.313491D+02 -0.808087D+01 -0.536553D+00
      4   0.447654D+01  0.186714D+01 -0.296645D+01  0.455626D+01  0.541979D+00
      5   0.923353D+01  0.142664D+02 -0.861827D+01  0.358416D+01  0.886881D+00
      6  -0.156548D+03  0.400188D+00  0.103047D+03 -0.403945D+02 -0.586232D+01
                56            57            58            59            60 
      1  -0.664265D-01  0.219929D+01 -0.196439D+00 -0.211800D+01  0.456104D+01
      2   0.256159D-01  0.173967D+01 -0.130522D+01 -0.991929D+01  0.194760D+02
      3   0.408106D-01 -0.393896D+01  0.150166D+01  0.120373D+02 -0.240370D+02
      4  -0.704958D+00 -0.421470D+01  0.153076D+01  0.561893D+00 -0.102046D+01
      5  -0.353464D+01 -0.660922D+01 -0.184145D+01 -0.804596D+00  0.165332D+01
      6   0.544213D+00 -0.482591D+00 -0.757683D+00 -0.167286D+01  0.395247D+01
                61            62            63            64            65 
      1   0.434749D+00  0.811955D+00 -0.177907D+02 -0.371836D+01 -0.499658D+01
      2   0.274066D+01  0.977047D+01 -0.417626D+02 -0.664351D+01 -0.120466D+01
      3  -0.317541D+01 -0.105824D+02  0.595533D+02  0.103619D+02  0.620124D+01
      4   0.286440D+00 -0.537164D+00  0.192523D+00 -0.911308D+01  0.372768D+02
      5   0.643949D+01  0.103633D+00 -0.487788D+01 -0.101361D+02  0.324226D+02
      6  -0.112082D+01  0.862166D+01  0.654193D+01  0.533784D+02  0.246709D+01
                66            67            68            69            70 
      1  -0.833519D+01 -0.640451D+00  0.177236D+02 -0.312213D+02 -0.660194D+01
      2   0.464309D+01  0.885112D+01 -0.100860D+03 -0.683166D+02 -0.448781D+01
      3   0.369210D+01 -0.821067D+01  0.831361D+02  0.995379D+02  0.110897D+02
      4   0.416115D+02  0.685018D+01  0.314051D+01 -0.409795D+01  0.404998D+02
      5   0.529076D+02  0.120151D+02  0.399499D+01 -0.591583D+01  0.351956D+02
      6   0.193244D+01 -0.744929D+01 -0.181861D+02  0.192183D+03  0.642038D+01
                71            72            73            74            75 
      1  -0.324085D+02  0.725756D+01  0.902477D+00  0.399370D+01  0.600554D+01
      2   0.123791D+03  0.362804D+02  0.591845D+00  0.237595D+00 -0.545875D+00
      3  -0.913822D+02 -0.435380D+02 -0.149432D+01 -0.423129D+01 -0.545966D+01
      4  -0.255417D+01  0.629655D+01  0.308699D+00 -0.187446D+01 -0.497920D+01
      5  -0.101877D+01  0.748753D+01  0.253870D+00 -0.346431D+01 -0.533349D+01
      6   0.769679D+02 -0.539738D+02 -0.545723D+01 -0.697261D+01 -0.983840D+01
                76            77            78            79            80 
      1   0.253383D+01 -0.321902D+02 -0.310684D+02  0.402250D+01 -0.392446D+02
      2  -0.134066D+01  0.204042D+02  0.152063D+02  0.905650D+00  0.421811D+01
      3  -0.119317D+01  0.117861D+02  0.158620D+02 -0.492815D+01  0.350264D+02
      4   0.526701D+01 -0.503322D+01 -0.472028D+01  0.535403D+01 -0.532055D+01
      5   0.366168D+01 -0.525200D+01 -0.508655D+01  0.825361D+01 -0.711145D+01
      6  -0.601007D+01  0.601036D+02  0.581296D+02 -0.940296D+01  0.759665D+02
                81            82            83            84            85 
      1  -0.574356D+02 -0.316464D+01 -0.730187D+01  0.297474D+01  0.149360D+01
      2  -0.108345D+02  0.381435D+02  0.877207D+01  0.124570D+01 -0.959872D+00
      3   0.682701D+02 -0.349789D+02 -0.147020D+01 -0.422044D+01 -0.533731D+00
      4  -0.735303D+01 -0.711038D+01  0.785037D+02  0.248482D+02  0.356547D+02
      5  -0.112951D+02 -0.265905D+00  0.300253D+02  0.818240D+01  0.107737D+02
      6   0.108043D+03  0.334861D+02  0.399995D+00 -0.134600D+02 -0.104433D+02
                86            87            88            89            90 
      1  -0.314557D+02 -0.500002D+02  0.913183D+01 -0.140133D+01 -0.433682D+02
      2   0.520114D+02  0.440205D+02  0.145473D+01 -0.616810D+02  0.147403D+02
      3  -0.205557D+02  0.597976D+01 -0.105866D+02  0.630823D+02  0.286279D+02
      4  -0.309204D+01 -0.655545D+01 -0.266531D+02  0.133643D+01 -0.908579D+01
      5  -0.268366D+01 -0.601173D+01 -0.324279D+02  0.244446D+00 -0.864815D+01
      6   0.120365D+03  0.148547D+03 -0.139376D+02  0.345052D+02  0.174972D+03
                91            92            93            94            95 
      1   0.786684D+00  0.334323D+01  0.681108D+00  0.172108D+01 -0.576603D+02
      2  -0.348948D+01 -0.594384D+01 -0.138354D+01 -0.624780D+01  0.148832D+03
      3   0.270280D+01  0.260061D+01  0.702430D+00  0.452672D+01 -0.911717D+02
      4   0.474765D+00 -0.818574D+01 -0.393304D+01  0.954307D+01 -0.910303D+01
      5   0.130474D+00 -0.278426D+01 -0.290258D+00  0.147190D+01 -0.885237D+00
      6  -0.408213D+01 -0.493441D+01 -0.112982D+01 -0.116117D+01  0.345190D+02
                96            97            98            99           100 
      1  -0.163972D+01 -0.705229D-01  0.808373D+01 -0.515053D+01  0.150196D+02
      2   0.574631D+01  0.710006D+00 -0.334912D+02  0.703014D+01  0.472434D+01
      3  -0.410659D+01 -0.639483D+00  0.254074D+02 -0.187961D+01 -0.197440D+02
      4  -0.181516D-01 -0.190908D+01  0.235413D+00 -0.105778D+01  0.187214D+01
      5  -0.771754D-01  0.138045D+01 -0.122626D+01 -0.383511D+00 -0.100807D+01
      6   0.140962D+01 -0.110949D+01  0.108993D+02  0.616827D+01 -0.130741D+02
               101           102           103           104           105 
      1  -0.463865D+01 -0.101561D+02 -0.180095D+01  0.337666D+02  0.323797D+02
      2   0.532926D+01  0.974012D+01  0.611434D+01 -0.617065D+02 -0.709403D+02
      3  -0.690604D+00  0.415955D+00 -0.431339D+01  0.279399D+02  0.385607D+02
      4   0.122456D+02 -0.132471D+02 -0.160311D+02  0.945058D+01  0.423266D+01
      5   0.528619D+01  0.420973D+01  0.105902D+01  0.448690D+01  0.380485D+01
      6  -0.177721D+00  0.240492D+02  0.973474D+01 -0.119276D+03 -0.912415D+02
               106           107           108           109           110 
      1  -0.676536D+01  0.332240D+02  0.342987D+02  0.142201D+02  0.254746D+00
      2   0.722127D+01 -0.448878D+02 -0.545524D+02  0.482044D+01 -0.150117D+01
      3  -0.455903D+00  0.116638D+02  0.202538D+02 -0.190405D+02  0.124643D+01
      4   0.125910D+02  0.871109D+01  0.640353D+01  0.382215D+01  0.111000D+02
      5   0.257454D+02  0.241449D+01  0.693630D+01  0.253575D+01 -0.933119D+01
      6   0.137679D+02 -0.121452D+03 -0.179990D+03 -0.184479D+02  0.698518D+01
               111           112           113           114           115 
      1  -0.337139D+01  0.883138D+01 -0.591298D+02 -0.967885D+02  0.237835D+01
      2   0.745656D+00 -0.962039D+01  0.566875D+02  0.108346D+03 -0.262439D+01
      3   0.262573D+01  0.789008D+00  0.244233D+01 -0.115571D+02  0.246046D+00
      4  -0.235101D+02 -0.938566D+01 -0.174656D+02 -0.159404D+02 -0.309638D+02
      5  -0.270515D+01 -0.158003D+02 -0.104825D+02 -0.153514D+02 -0.234417D+02
      6   0.929933D+01 -0.321366D+02  0.275165D+03  0.347919D+03 -0.353984D+01
               116           117           118           119           120 
      1  -0.198226D+02  0.226663D+01 -0.828048D+00  0.402985D+00  0.473012D+01
      2   0.150852D+02  0.317075D+02  0.205511D+01  0.263755D+01 -0.300912D+01
      3   0.473743D+01 -0.339741D+02 -0.122706D+01 -0.304054D+01 -0.172099D+01
      4  -0.261023D+01  0.668278D-01  0.104036D+01  0.604308D+01 -0.218027D+01
      5  -0.268891D+00 -0.101612D+01 -0.200033D+00 -0.432359D+01  0.176414D+01
      6   0.423916D+02  0.690824D+02 -0.190011D+01  0.722677D+01 -0.556765D+01
               121           122           123           124           125 
      1  -0.318140D+00 -0.124492D+02  0.114021D+02  0.497905D+00  0.496055D+01
      2   0.137323D+01  0.403462D+02 -0.284232D+02 -0.938139D+00 -0.152708D+02
      3  -0.105509D+01 -0.278969D+02  0.170211D+02  0.440234D+00  0.103102D+02
      4   0.717800D+01  0.301194D+01 -0.575508D+00 -0.289020D+01 -0.255756D+01
      5  -0.303596D+01 -0.120385D+01 -0.136539D+00  0.237620D+01 -0.645654D+00
      6  -0.485668D+00 -0.356994D+02  0.285316D+02 -0.904343D+00  0.360883D+02
               126           127           128           129           130 
      1  -0.145410D+02 -0.194332D+02  0.147656D+02  0.442165D+02  0.640577D+01
      2   0.152014D+02  0.181973D+02 -0.254686D+02 -0.437833D+02 -0.511016D+01
      3  -0.660394D+00  0.123589D+01  0.107030D+02 -0.433128D+00 -0.129561D+01
      4   0.999777D+00 -0.113710D+02  0.682247D+01  0.688574D+01  0.165167D+01
      5  -0.932694D+00  0.341219D+02 -0.178548D+02 -0.165478D+02 -0.123798D+02
      6  -0.929194D+01  0.131440D+02 -0.189585D+02 -0.363073D+02 -0.118630D+02
               131           132           133           134           135 
      1   0.204917D+01 -0.239521D+02  0.105281D+02 -0.157338D+02 -0.187153D+02
      2   0.672437D+01  0.132971D+02 -0.896514D+01  0.927882D+01  0.527330D+02
      3  -0.877353D+01  0.106550D+02 -0.156295D+01  0.645499D+01 -0.340176D+02
      4   0.585985D-01 -0.646432D+01 -0.204778D+01 -0.436293D+01 -0.605247D+01
      5  -0.463594D+01  0.671226D+01 -0.140373D+02  0.601198D+01  0.349373D+01
      6   0.164970D+02  0.250751D+02 -0.170904D+02  0.328658D+02  0.108312D+03
               136           137           138           139           140 
      1   0.400030D+02 -0.123762D+02 -0.244645D+02 -0.353569D+01  0.434019D+01
      2  -0.270207D+02  0.159790D+02  0.375250D+02  0.306162D+01 -0.305591D+01
      3  -0.129824D+02 -0.360275D+01 -0.130605D+02  0.474076D+00 -0.128428D+01
      4   0.950498D+01  0.166158D-01 -0.793504D+01  0.574074D+01 -0.151897D+00
      5  -0.319852D+02  0.932055D+01  0.253913D+02  0.406745D+01 -0.359813D+01
      6  -0.148352D+02 -0.181558D+00  0.420246D+02 -0.219140D+01 -0.240508D+01
               141           142           143           144           145 
      1   0.362674D+01  0.768148D+00 -0.138299D+01  0.390124D+01 -0.772668D+01
      2  -0.150450D+01  0.491031D+01  0.139517D+01 -0.126275D+02 -0.573849D+01
      3  -0.212224D+01 -0.567845D+01 -0.121774D-01  0.872628D+01  0.134652D+02
      4  -0.217315D+01  0.695954D+00  0.915006D+00  0.244447D+01  0.189197D+02
      5  -0.229928D+01  0.904170D+01 -0.112272D+01 -0.676678D+01 -0.422192D+02
      6   0.957499D+01  0.374390D+01 -0.562443D+01 -0.232684D+02  0.144922D+02
               146           147           148           149           150 
      1   0.417842D+01 -0.143438D+02  0.476425D+01  0.494978D+01  0.105216D+02
      2  -0.737152D+01 -0.327253D+01 -0.101597D+02 -0.184190D+02  0.340819D+02
      3   0.319310D+01  0.176163D+02  0.539548D+01  0.134692D+02 -0.446035D+02
      4  -0.879217D+01  0.317616D+01 -0.492594D+01 -0.125638D+02  0.848425D+00
      5   0.129982D+02 -0.125521D+01  0.104316D+02  0.145363D+02 -0.122022D+01
      6   0.140496D+02  0.805811D+00  0.101601D+02  0.410641D+02  0.484793D+01
               151           152           153           154           155 
      1  -0.287535D+01  0.942420D+01 -0.201550D+01  0.131723D+01 -0.291123D+01
      2  -0.447883D+01  0.151533D+02 -0.429403D+01  0.502192D+01  0.106055D+02
      3   0.735418D+01 -0.245775D+02  0.630954D+01 -0.633916D+01 -0.769427D+01
      4  -0.201376D+00  0.886215D+00 -0.542224D+01  0.540851D+01  0.114610D+02
      5   0.267259D+01 -0.206844D+01  0.124850D+02 -0.377191D+01 -0.115341D+02
      6  -0.291121D+01  0.207063D+01 -0.445818D+02 -0.120389D+02 -0.185167D+02
               156           157           158           159           160 
      1   0.584951D+01 -0.308036D+01 -0.160933D+02  0.937144D+01  0.226751D+01
      2   0.388970D+01  0.806298D+01  0.375822D+02 -0.446862D+01  0.221996D+01
      3  -0.973921D+01 -0.498262D+01 -0.214889D+02 -0.490281D+01 -0.448748D+01
      4  -0.410928D+01  0.918465D+01  0.117995D+02 -0.307153D+01 -0.836855D+00
      5   0.541140D+01 -0.890231D+01 -0.115142D+02  0.359565D+01  0.210744D+01
      6   0.860099D+01 -0.109837D+02 -0.544953D+02  0.203088D+02  0.309479D+01
               161           162           163           164           165 
      1   0.442134D+01 -0.537978D+01  0.208510D+02 -0.305438D+01 -0.356287D+01
      2   0.339450D+00  0.210104D+01 -0.537606D+01 -0.289452D+01 -0.107635D+02
      3  -0.476079D+01  0.327874D+01 -0.154750D+02  0.594890D+01  0.143264D+02
      4  -0.880341D+00  0.381118D+01 -0.243470D+02  0.107838D+02 -0.585621D+01
      5   0.176079D+01 -0.582370D+01  0.436771D+02 -0.123170D+02  0.138811D+02
      6   0.120565D+02 -0.624993D+01 -0.166356D+02  0.118401D+02 -0.124019D+02
               166           167           168           169           170 
      1  -0.141964D+01  0.134099D+01 -0.375596D+00 -0.339709D+01 -0.856201D+00
      2  -0.167852D+01  0.427401D+01 -0.537713D+01 -0.335174D+01  0.500532D+00
      3   0.309816D+01 -0.561500D+01  0.575273D+01  0.674883D+01  0.355669D+00
      4   0.707003D+01 -0.411303D+01  0.234217D+01  0.245208D+00 -0.105869D+00
      5  -0.538904D+01  0.620101D+01 -0.309345D+01  0.520924D+01 -0.100246D+01
      6   0.659813D+01 -0.848480D+01  0.252008D+01 -0.299049D+01  0.116476D+01
               171           172           173           174           175 
      1   0.136862D+01 -0.820676D+01 -0.628606D+01  0.245577D+02 -0.313621D+01
      2  -0.157459D+01  0.164606D+02 -0.134419D+01  0.172191D+02 -0.263298D+00
      3   0.205972D+00 -0.825387D+01  0.763025D+01 -0.417767D+02  0.339950D+01
      4  -0.333021D+01 -0.888387D+01  0.701111D+00  0.379173D+01 -0.179078D+00
      5   0.660690D+01  0.653763D+02  0.475922D+01 -0.174678D+02 -0.368081D+01
      6   0.438150D+01  0.555597D+01 -0.185424D+02  0.153945D+02 -0.164584D+02
               176           177           178           179           180 
      1   0.550669D+01 -0.324291D+02  0.106514D+02 -0.242746D+02  0.232327D+02
      2   0.438917D+01 -0.386616D+02  0.105328D+02 -0.296016D+02  0.919807D+01
      3  -0.989586D+01  0.710907D+02 -0.211841D+02  0.538762D+02 -0.324308D+02
      4   0.363069D+01 -0.323015D+01  0.641552D+00 -0.111864D+01  0.506647D+01
      5  -0.172277D+02  0.569182D+01 -0.610695D+01  0.390673D+01 -0.252283D+02
      6  -0.154531D+02 -0.214898D+02  0.737744D+01 -0.147468D+02  0.599033D+02
               181           182           183           184           185 
      1   0.191503D+02  0.167585D+01  0.208500D+01 -0.173569D+00  0.830151D+00
      2  -0.266829D+02  0.466206D+00  0.211646D+02  0.157231D+01 -0.217775D+01
      3   0.753266D+01 -0.214206D+01 -0.232496D+02 -0.139874D+01  0.134760D+01
      4   0.121486D+02  0.530451D+01 -0.556348D+01  0.591318D+01  0.153540D+01
      5  -0.744314D+02 -0.843077D+01  0.353716D+02  0.232511D+01 -0.670080D+01
      6  -0.948648D+01 -0.122008D+02  0.527242D+01 -0.703326D+01  0.108078D+01
               186           187           188           189           190 
      1   0.379837D+01  0.320899D+01  0.378039D+01 -0.308003D+01 -0.474311D+01
      2   0.210208D+01  0.756158D+01  0.387469D+01 -0.883779D+01 -0.100503D+02
      3  -0.590045D+01 -0.107706D+02 -0.765508D+01  0.119178D+02  0.147934D+02
      4  -0.173186D+01 -0.256900D+00 -0.358876D+00  0.111718D+01 -0.177318D+01
      5  -0.171721D+00  0.110383D+02  0.491272D+00 -0.136654D+02  0.421894D+01
      6   0.824294D+01  0.156677D+01  0.453844D+01 -0.831844D+01 -0.991924D+01
               191           192           193           194           195 
      1   0.518722D+01 -0.164991D+02  0.281079D+01 -0.182568D+02  0.294715D+02
      2   0.333899D+01 -0.194117D+02  0.783027D+00 -0.795670D+01  0.230033D+02
      3  -0.852622D+01  0.359109D+02 -0.359381D+01  0.262135D+02 -0.524748D+02
      4   0.322314D+01 -0.538781D+01  0.320116D+01 -0.179286D+01  0.150127D+01
      5  -0.845694D+01  0.230873D+02 -0.655551D+01  0.708446D+01 -0.476405D+01
      6   0.131636D+02 -0.177187D+02  0.744729D+01 -0.312205D+02  0.469617D+02
               196           197           198           199           200 
      1  -0.683487D+01  0.208450D+02 -0.622629D+02 -0.820676D+01 -0.628606D+01
      2  -0.655094D+01  0.175115D+02 -0.638927D+02  0.164606D+02 -0.134419D+01
      3   0.133858D+02 -0.383565D+02  0.126156D+03 -0.825387D+01  0.763025D+01
      4  -0.276653D+01  0.990217D+00 -0.292677D+01 -0.888387D+01  0.701111D+00
      5   0.142238D+02 -0.332573D+01  0.152867D+02 -0.653763D+02 -0.475922D+01
      6  -0.600588D+01  0.339689D+02 -0.645641D+02 -0.555597D+01  0.185424D+02
               201           202           203           204           205 
      1  -0.245577D+02 -0.313621D+01  0.550669D+01  0.324291D+02 -0.106514D+02
      2  -0.172191D+02 -0.263298D+00  0.438917D+01  0.386616D+02 -0.105328D+02
      3   0.417767D+02  0.339950D+01 -0.989586D+01 -0.710907D+02  0.211841D+02
      4  -0.379173D+01 -0.179077D+00  0.363069D+01  0.323015D+01 -0.641552D+00
      5  -0.174678D+02  0.368081D+01  0.172277D+02  0.569182D+01 -0.610695D+01
      6   0.153945D+02  0.164584D+02  0.154531D+02 -0.214898D+02  0.737744D+01
               206           207           208           209           210 
      1   0.242746D+02  0.232327D+02 -0.474311D+01  0.518722D+01  0.164991D+02
      2   0.296016D+02  0.919807D+01 -0.100503D+02  0.333899D+01  0.194117D+02
      3  -0.538762D+02 -0.324308D+02  0.147934D+02 -0.852622D+01 -0.359109D+02
      4   0.111864D+01  0.506647D+01 -0.177318D+01  0.322314D+01  0.538781D+01
      5   0.390673D+01  0.252283D+02 -0.421894D+01  0.845694D+01  0.230873D+02
      6  -0.147468D+02 -0.599033D+02  0.991924D+01 -0.131636D+02 -0.177187D+02
               211           212           213           214           215 
      1   0.281079D+01 -0.182568D+02 -0.294715D+02  0.683487D+01 -0.208450D+02
      2   0.783027D+00 -0.795670D+01 -0.230033D+02  0.655094D+01 -0.175115D+02
      3  -0.359381D+01  0.262135D+02  0.524748D+02 -0.133858D+02  0.383565D+02
      4   0.320116D+01 -0.179286D+01 -0.150127D+01  0.276653D+01 -0.990217D+00
      5   0.655551D+01 -0.708446D+01 -0.476405D+01  0.142238D+02 -0.332573D+01
      6  -0.744729D+01  0.312205D+02  0.469617D+02 -0.600588D+01  0.339689D+02
               216           217           218           219           220 
      1  -0.622629D+02  0.191503D+02  0.167585D+01 -0.208500D+01 -0.173569D+00
      2  -0.638927D+02 -0.266829D+02  0.466205D+00 -0.211646D+02  0.157231D+01
      3   0.126156D+03  0.753266D+01 -0.214206D+01  0.232496D+02 -0.139874D+01
      4  -0.292677D+01  0.121486D+02  0.530451D+01  0.556348D+01  0.591318D+01
      5  -0.152867D+02  0.744314D+02  0.843077D+01  0.353716D+02 -0.232511D+01
      6   0.645641D+02  0.948648D+01  0.122008D+02  0.527243D+01  0.703326D+01
               221           222           223           224           225 
      1   0.830151D+00 -0.379837D+01 -0.320899D+01 -0.378039D+01 -0.308003D+01
      2  -0.217775D+01 -0.210208D+01 -0.756158D+01 -0.387469D+01 -0.883779D+01
      3   0.134760D+01  0.590045D+01  0.107706D+02  0.765508D+01  0.119178D+02
      4   0.153540D+01  0.173186D+01  0.256900D+00  0.358876D+00  0.111718D+01
      5   0.670080D+01 -0.171721D+00  0.110383D+02  0.491272D+00  0.136654D+02
      6  -0.108078D+01  0.824294D+01  0.156677D+01  0.453844D+01  0.831844D+01
               226           227           228           229           230 
      1  -0.772668D+01  0.417842D+01  0.143438D+02  0.476425D+01  0.494978D+01
      2  -0.573849D+01 -0.737152D+01  0.327253D+01 -0.101597D+02 -0.184190D+02
      3   0.134652D+02  0.319309D+01 -0.176163D+02  0.539548D+01  0.134692D+02
      4   0.189197D+02 -0.879217D+01 -0.317616D+01 -0.492594D+01 -0.125638D+02
      5   0.422192D+02 -0.129982D+02 -0.125521D+01 -0.104316D+02 -0.145363D+02
      6  -0.144922D+02 -0.140496D+02  0.805811D+00 -0.101601D+02 -0.410640D+02
               231           232           233           234           235 
      1  -0.105216D+02  0.287535D+01 -0.942420D+01 -0.201550D+01  0.208510D+02
      2  -0.340819D+02  0.447883D+01 -0.151533D+02 -0.429403D+01 -0.537606D+01
      3   0.446035D+02 -0.735418D+01  0.245775D+02  0.630953D+01 -0.154750D+02
      4  -0.848425D+00  0.201376D+00 -0.886215D+00 -0.542224D+01 -0.243470D+02
      5  -0.122022D+01  0.267259D+01 -0.206844D+01 -0.124850D+02 -0.436771D+02
      6   0.484793D+01 -0.291121D+01  0.207063D+01  0.445818D+02  0.166356D+02
               236           237           238           239           240 
      1  -0.305438D+01  0.356287D+01 -0.141964D+01  0.134099D+01  0.375596D+00
      2  -0.289452D+01  0.107635D+02 -0.167852D+01  0.427401D+01  0.537713D+01
      3   0.594890D+01 -0.143264D+02  0.309816D+01 -0.561500D+01 -0.575273D+01
      4   0.107838D+02  0.585621D+01  0.707003D+01 -0.411303D+01 -0.234217D+01
      5   0.123170D+02  0.138811D+02  0.538904D+01 -0.620101D+01 -0.309345D+01
      6  -0.118401D+02 -0.124019D+02 -0.659813D+01  0.848480D+01  0.252008D+01
               241           242           243           244           245 
      1   0.339709D+01  0.856201D+00  0.136862D+01  0.131723D+01 -0.291123D+01
      2   0.335174D+01 -0.500532D+00 -0.157459D+01  0.502192D+01  0.106055D+02
      3  -0.674883D+01 -0.355669D+00  0.205971D+00 -0.633916D+01 -0.769427D+01
      4  -0.245208D+00  0.105869D+00 -0.333021D+01  0.540851D+01  0.114610D+02
      5   0.520924D+01 -0.100246D+01 -0.660690D+01  0.377191D+01  0.115341D+02
      6  -0.299049D+01  0.116476D+01 -0.438150D+01  0.120389D+02  0.185167D+02
               246           247           248           249           250 
      1  -0.584951D+01 -0.308036D+01 -0.160933D+02 -0.937144D+01 -0.226751D+01
      2  -0.388970D+01  0.806298D+01  0.375822D+02  0.446862D+01 -0.221996D+01
      3   0.973921D+01 -0.498262D+01 -0.214889D+02  0.490281D+01  0.448748D+01
      4   0.410928D+01  0.918465D+01  0.117995D+02  0.307153D+01  0.836855D+00
      5   0.541140D+01  0.890231D+01  0.115142D+02  0.359565D+01  0.210744D+01
      6   0.860099D+01  0.109837D+02  0.544953D+02  0.203088D+02  0.309479D+01
               251           252           253           254           255 
      1  -0.442134D+01 -0.537978D+01 -0.194332D+02  0.147656D+02 -0.442165D+02
      2  -0.339450D+00  0.210104D+01  0.181973D+02 -0.254686D+02  0.437833D+02
      3   0.476079D+01  0.327874D+01  0.123589D+01  0.107030D+02  0.433124D+00
      4   0.880341D+00  0.381118D+01 -0.113710D+02  0.682246D+01 -0.688574D+01
      5   0.176079D+01  0.582370D+01 -0.341219D+02  0.178548D+02 -0.165478D+02
      6   0.120565D+02  0.624993D+01 -0.131440D+02  0.189585D+02 -0.363073D+02
               256           257           258           259           260 
      1   0.640577D+01  0.204917D+01  0.239521D+02 -0.105281D+02  0.157338D+02
      2  -0.511016D+01  0.672436D+01 -0.132971D+02  0.896514D+01 -0.927881D+01
      3  -0.129561D+01 -0.877354D+01 -0.106550D+02  0.156295D+01 -0.645500D+01
      4   0.165167D+01  0.585964D-01  0.646431D+01  0.204777D+01  0.436293D+01
      5   0.123798D+02  0.463594D+01  0.671226D+01 -0.140373D+02  0.601197D+01
      6   0.118630D+02 -0.164970D+02  0.250751D+02 -0.170904D+02  0.328658D+02
               261           262           263           264           265 
      1  -0.187153D+02  0.400030D+02 -0.123762D+02  0.244645D+02 -0.353569D+01
      2   0.527330D+02 -0.270207D+02  0.159790D+02 -0.375250D+02  0.306162D+01
      3  -0.340176D+02 -0.129824D+02 -0.360275D+01  0.130605D+02  0.474076D+00
      4  -0.605247D+01  0.950498D+01  0.166149D-01  0.793504D+01  0.574074D+01
      5  -0.349373D+01  0.319852D+02 -0.932055D+01  0.253913D+02 -0.406745D+01
      6  -0.108312D+03  0.148352D+02  0.181559D+00  0.420246D+02  0.219140D+01
               266           267           268           269           270 
      1   0.434019D+01 -0.362674D+01 -0.768148D+00  0.138299D+01  0.390124D+01
      2  -0.305591D+01  0.150450D+01 -0.491031D+01 -0.139517D+01 -0.126275D+02
      3  -0.128428D+01  0.212224D+01  0.567845D+01  0.121773D-01  0.872628D+01
      4  -0.151897D+00  0.217315D+01 -0.695954D+00 -0.915007D+00  0.244447D+01
      5   0.359813D+01 -0.229928D+01  0.904170D+01 -0.112272D+01  0.676678D+01
      6   0.240508D+01  0.957499D+01  0.374390D+01 -0.562443D+01  0.232684D+02
               271           272           273           274           275 
      1   0.142201D+02  0.254742D+00  0.337139D+01  0.883138D+01 -0.591298D+02
      2   0.482044D+01 -0.150117D+01 -0.745661D+00 -0.962039D+01  0.566875D+02
      3  -0.190405D+02  0.124643D+01 -0.262572D+01  0.789009D+00  0.244233D+01
      4   0.382215D+01  0.111000D+02  0.235101D+02 -0.938566D+01 -0.174656D+02
      5  -0.253575D+01  0.933119D+01 -0.270514D+01  0.158003D+02  0.104825D+02
      6   0.184479D+02 -0.698519D+01  0.929933D+01  0.321366D+02 -0.275165D+03
               276           277           278           279           280 
      1   0.967885D+02 -0.237835D+01  0.198226D+02  0.226663D+01 -0.828048D+00
      2  -0.108346D+03  0.262439D+01 -0.150852D+02  0.317075D+02  0.205511D+01
      3   0.115571D+02 -0.246044D+00 -0.473743D+01 -0.339741D+02 -0.122706D+01
      4   0.159404D+02  0.309638D+02  0.261023D+01  0.668271D-01  0.104036D+01
      5  -0.153514D+02 -0.234417D+02 -0.268892D+00  0.101613D+01  0.200033D+00
      6   0.347919D+03 -0.353984D+01  0.423916D+02 -0.690824D+02  0.190011D+01
               281           282           283           284           285 
      1   0.402985D+00 -0.473012D+01 -0.318140D+00 -0.124492D+02 -0.114021D+02
      2   0.263755D+01  0.300912D+01  0.137323D+01  0.403462D+02  0.284232D+02
      3  -0.304054D+01  0.172100D+01 -0.105509D+01 -0.278969D+02 -0.170211D+02
      4   0.604308D+01  0.218027D+01  0.717800D+01  0.301194D+01  0.575507D+00
      5   0.432359D+01  0.176414D+01  0.303596D+01  0.120385D+01 -0.136539D+00
      6  -0.722677D+01 -0.556765D+01  0.485668D+00  0.356994D+02  0.285316D+02
               286           287           288           289           290 
      1  -0.497905D+00 -0.496055D+01 -0.145410D+02  0.150196D+02 -0.463865D+01
      2   0.938139D+00  0.152708D+02  0.152014D+02  0.472434D+01  0.532925D+01
      3  -0.440234D+00 -0.103102D+02 -0.660394D+00 -0.197440D+02 -0.690605D+00
      4   0.289020D+01  0.255756D+01  0.999777D+00  0.187214D+01  0.122456D+02
      5   0.237620D+01 -0.645654D+00  0.932694D+00  0.100807D+01 -0.528618D+01
      6  -0.904343D+00  0.360883D+02  0.929194D+01  0.130741D+02  0.177724D+00
               291           292           293           294           295 
      1   0.101561D+02 -0.180095D+01  0.337666D+02 -0.323797D+02  0.676536D+01
      2  -0.974011D+01  0.611434D+01 -0.617065D+02  0.709403D+02 -0.722126D+01
      3  -0.415962D+00 -0.431339D+01  0.279399D+02 -0.385607D+02  0.455903D+00
      4   0.132471D+02 -0.160311D+02  0.945058D+01 -0.423266D+01 -0.125910D+02
      5   0.420972D+01 -0.105902D+01 -0.448690D+01  0.380485D+01  0.257454D+02
      6   0.240492D+02 -0.973474D+01  0.119276D+03 -0.912415D+02  0.137679D+02
               296           297           298           299           300 
      1  -0.332240D+02  0.342987D+02 -0.316464D+01 -0.730188D+01 -0.297474D+01
      2   0.448878D+02 -0.545524D+02  0.381435D+02  0.877208D+01 -0.124570D+01
      3  -0.116638D+02  0.202538D+02 -0.349789D+02 -0.147020D+01  0.422044D+01
      4  -0.871109D+01  0.640353D+01 -0.711038D+01  0.785037D+02 -0.248482D+02
      5   0.241449D+01 -0.693630D+01  0.265907D+00 -0.300253D+02  0.818240D+01
      6  -0.121452D+03  0.179990D+03 -0.334861D+02 -0.399999D+00 -0.134600D+02
               301           302           303           304           305 
      1   0.149360D+01 -0.314557D+02  0.500002D+02 -0.913183D+01  0.140133D+01
      2  -0.959871D+00  0.520114D+02 -0.440205D+02 -0.145473D+01  0.616810D+02
      3  -0.533732D+00 -0.205557D+02 -0.597976D+01  0.105866D+02 -0.630823D+02
      4   0.356547D+02 -0.309204D+01  0.655544D+01  0.266531D+02 -0.133644D+01
      5  -0.107737D+02  0.268365D+01 -0.601173D+01 -0.324279D+02  0.244447D+00
      6   0.104433D+02 -0.120365D+03  0.148547D+03 -0.139376D+02  0.345052D+02
               306           307           308           309           310 
      1  -0.433682D+02  0.786684D+00  0.334323D+01 -0.681108D+00  0.172108D+01
      2   0.147403D+02 -0.348949D+01 -0.594384D+01  0.138354D+01 -0.624780D+01
      3   0.286279D+02  0.270280D+01  0.260061D+01 -0.702431D+00  0.452672D+01
      4  -0.908579D+01  0.474765D+00 -0.818574D+01  0.393304D+01  0.954307D+01
      5   0.864815D+01 -0.130474D+00  0.278426D+01 -0.290258D+00 -0.147190D+01
      6  -0.174972D+03  0.408213D+01  0.493442D+01 -0.112982D+01  0.116117D+01
               311           312           313           314           315 
      1  -0.576603D+02  0.163972D+01  0.705229D-01 -0.808373D+01 -0.515053D+01
      2   0.148832D+03 -0.574631D+01 -0.710006D+00  0.334912D+02  0.703014D+01
      3  -0.911717D+02  0.410659D+01  0.639483D+00 -0.254074D+02 -0.187961D+01
      4  -0.910303D+01  0.181516D-01  0.190908D+01 -0.235412D+00 -0.105778D+01
      5   0.885237D+00 -0.771754D-01  0.138045D+01 -0.122626D+01  0.383511D+00
      6  -0.345190D+02  0.140962D+01 -0.110949D+01  0.108993D+02 -0.616827D+01
               316           317           318           319           320 
      1  -0.371835D+01 -0.499658D+01  0.833518D+01 -0.640450D+00  0.177236D+02
      2  -0.664352D+01 -0.120466D+01 -0.464309D+01  0.885112D+01 -0.100860D+03
      3   0.103619D+02  0.620124D+01 -0.369209D+01 -0.821067D+01  0.831361D+02
      4  -0.911308D+01  0.372768D+02 -0.416115D+02  0.685018D+01  0.314051D+01
      5   0.101361D+02 -0.324225D+02  0.529076D+02 -0.120151D+02 -0.399499D+01
      6  -0.533784D+02 -0.246709D+01  0.193244D+01  0.744929D+01  0.181861D+02
               321           322           323           324           325 
      1   0.312213D+02  0.660194D+01  0.324085D+02  0.725755D+01  0.902476D+00
      2   0.683166D+02  0.448781D+01 -0.123791D+03  0.362804D+02  0.591845D+00
      3  -0.995379D+02 -0.110897D+02  0.913822D+02 -0.435380D+02 -0.149432D+01
      4   0.409795D+01 -0.404998D+02  0.255417D+01  0.629655D+01  0.308699D+00
      5  -0.591583D+01  0.351956D+02 -0.101877D+01 -0.748753D+01 -0.253870D+00
      6   0.192183D+03  0.642038D+01  0.769679D+02  0.539738D+02  0.545723D+01
               326           327           328           329           330 
      1   0.399370D+01 -0.600554D+01  0.253383D+01 -0.321902D+02  0.310684D+02
      2   0.237595D+00  0.545875D+00 -0.134066D+01  0.204042D+02 -0.152063D+02
      3  -0.423129D+01  0.545966D+01 -0.119317D+01  0.117861D+02 -0.158620D+02
      4  -0.187446D+01  0.497920D+01  0.526701D+01 -0.503322D+01  0.472028D+01
      5   0.346431D+01 -0.533349D+01 -0.366168D+01  0.525200D+01 -0.508655D+01
      6   0.697261D+01 -0.983840D+01  0.601007D+01 -0.601036D+02  0.581296D+02
               331           332           333           334           335 
      1  -0.402250D+01  0.392446D+02 -0.574356D+02  0.591281D+01  0.557407D+01
      2  -0.905650D+00 -0.421811D+01 -0.108345D+02 -0.260209D+02 -0.146460D+02
      3   0.492815D+01 -0.350264D+02  0.682701D+02  0.201081D+02  0.907192D+01
      4  -0.535403D+01  0.532055D+01 -0.735303D+01 -0.157145D+01  0.805203D+01
      5   0.825361D+01 -0.711145D+01  0.112951D+02  0.616662D+01 -0.181295D+02
      6  -0.940296D+01  0.759665D+02 -0.108043D+03 -0.307478D+02  0.175977D+02
               336           337           338           339           340 
      1   0.887387D+01  0.448823D+01 -0.333802D+02 -0.135091D+02 -0.245676D+00
      2   0.538190D+01 -0.143411D+02  0.119343D+03 -0.114786D+03  0.489233D+01
      3  -0.142558D+02  0.985287D+01 -0.859630D+02  0.128295D+03 -0.464665D+01
      4  -0.316730D+02 -0.167183D+02 -0.530759D+01 -0.447654D+01 -0.186714D+01
      5   0.624275D+02  0.285738D+02  0.772460D+01  0.923353D+01  0.142664D+02
      6   0.125457D+02 -0.410601D+01 -0.735252D+02 -0.156548D+03  0.400190D+00
               341           342           343           344           345 
      1   0.425875D+02  0.312680D+01  0.109412D+01 -0.664268D-01 -0.219929D+01
      2  -0.739365D+02  0.495407D+01 -0.557567D+00  0.256156D-01 -0.173967D+01
      3   0.313491D+02 -0.808087D+01 -0.536553D+00  0.408112D-01  0.393896D+01
      4   0.296645D+01  0.455626D+01  0.541979D+00 -0.704958D+00  0.421470D+01
      5  -0.861827D+01 -0.358416D+01 -0.886881D+00  0.353464D+01 -0.660922D+01
      6   0.103047D+03  0.403945D+02  0.586232D+01 -0.544214D+00 -0.482590D+00
               346           347           348           349           350 
      1  -0.196440D+00 -0.211800D+01 -0.456104D+01 -0.434749D+00 -0.811955D+00
      2  -0.130522D+01 -0.991929D+01 -0.194760D+02 -0.274066D+01 -0.977047D+01
      3   0.150166D+01  0.120373D+02  0.240370D+02  0.317541D+01  0.105824D+02
      4   0.153076D+01  0.561893D+00  0.102046D+01 -0.286440D+00  0.537163D+00
      5   0.184145D+01  0.804596D+00  0.165332D+01  0.643949D+01  0.103634D+00
      6   0.757683D+00  0.167286D+01  0.395247D+01 -0.112082D+01  0.862166D+01
               351 
      1  -0.177907D+02
      2  -0.417626D+02
      3   0.595533D+02
      4   0.192523D+00
      5   0.487788D+01
      6  -0.654193D+01
 Leave Link  716 at Tue Sep  7 01:18:03 2021, MaxMem=  8589934592 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149192D+03 -0.111754D+02  0.000000D+00
      2  -0.111754D+02  0.327553D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.384203D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.519169D+02 -0.242532D+03  0.000000D+00
      2   0.459532D+02 -0.100877D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.220312D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.233099D+03
      2   0.000000D+00  0.000000D+00  0.253945D+03
      3   0.000000D+00  0.000000D+00 -0.208454D+02
      4   0.000000D+00  0.000000D+00 -0.658485D+02
      5  -0.630529D+02 -0.463995D+02  0.000000D+00
      6  -0.882964D+02  0.616086D+03  0.000000D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.214921D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00  0.276787D+01  0.000000D+00  0.000000D+00
      3  -0.214921D+01  0.276787D+01  0.000000D+00  0.355609D+00  0.134913D+01
                 6             7             8             9            10 
      1   0.355609D+00  0.206418D+00  0.851745D+00  0.000000D+00  0.255290D+00
      2   0.134913D+01  0.851745D+00  0.340695D+02  0.000000D+00 -0.136855D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.111578D+02  0.506016D+00
                11            12            13            14            15 
      1  -0.136855D+01  0.506016D+00  0.810054D+00 -0.661403D-01  0.127392D+01
      2   0.871542D+01  0.402069D+00 -0.661403D-01  0.127954D+02 -0.119972D+01
      3   0.402069D+00 -0.423643D+01  0.127392D+01 -0.119972D+01 -0.145193D+02
                16            17            18            19            20 
      1  -0.861872D+00  0.160709D+01 -0.132339D+01  0.562492D+00 -0.355458D+01
      2   0.160709D+01 -0.257236D+02 -0.376171D+01 -0.355458D+01 -0.563874D+01
      3  -0.132339D+01 -0.376171D+01  0.202447D+02 -0.224188D+01  0.667179D+00
                21            22            23            24            25 
      1  -0.224188D+01 -0.124612D+01  0.574154D+01  0.736577D+01 -0.855782D+00
      2   0.667179D+00  0.574154D+01 -0.251442D+02 -0.499917D+02  0.232576D+01
      3   0.261859D+01  0.736577D+01 -0.499917D+02 -0.690679D+02  0.371195D+01
                26            27            28            29            30 
      1   0.232576D+01  0.371195D+01 -0.562492D+00  0.355458D+01 -0.224188D+01
      2  -0.321276D+02 -0.794578D+01  0.355458D+01  0.563874D+01  0.667179D+00
      3  -0.794578D+01 -0.257993D+02 -0.224188D+01  0.667179D+00 -0.261859D+01
                31            32            33            34            35 
      1   0.124612D+01 -0.574154D+01  0.736577D+01 -0.855782D+00  0.232576D+01
      2  -0.574154D+01  0.251442D+02 -0.499917D+02  0.232576D+01 -0.321276D+02
      3   0.736577D+01 -0.499917D+02  0.690679D+02 -0.371195D+01  0.794578D+01
                36            37            38            39            40 
      1  -0.371195D+01 -0.255289D+00  0.136856D+01  0.506016D+00 -0.810054D+00
      2   0.794578D+01  0.136856D+01 -0.871542D+01  0.402069D+00  0.661403D-01
      3  -0.257993D+02  0.506016D+00  0.402069D+00  0.423643D+01  0.127392D+01
                41            42            43            44            45 
      1   0.661403D-01  0.127392D+01 -0.861872D+00  0.160709D+01  0.132339D+01
      2  -0.127954D+02 -0.119972D+01  0.160709D+01 -0.257236D+02  0.376171D+01
      3  -0.119972D+01  0.145193D+02  0.132339D+01  0.376171D+01  0.202447D+02
                46            47            48            49            50 
      1  -0.112755D+01  0.174510D+01  0.783273D+01 -0.381492D+01 -0.141213D+01
      2   0.174510D+01 -0.579870D+01 -0.688062D+00 -0.141213D+01  0.256515D+02
      3   0.783273D+01 -0.688062D+00  0.353102D+01  0.258410D+01  0.240874D+00
                51            52            53            54            55 
      1   0.258410D+01  0.132064D+01 -0.124399D+01  0.116249D+01  0.198848D+00
      2   0.240874D+00 -0.124399D+01  0.277661D+02  0.118166D+01 -0.421070D+00
      3  -0.343193D+02  0.116249D+01  0.118166D+01 -0.759764D+01 -0.963266D+00
                56            57            58            59            60 
      1  -0.421070D+00 -0.963266D+00 -0.651119D-01 -0.138526D+00  0.183553D+00
      2   0.177651D+00  0.671840D-01 -0.138526D+00 -0.968490D+00  0.141988D+01
      3   0.671840D-01 -0.819275D+00  0.183553D+00  0.141988D+01 -0.223098D+01
                61            62            63            64            65 
      1   0.605372D+00 -0.518765D-03 -0.481456D+00 -0.159123D+01  0.459368D+01
      2  -0.518765D-03  0.184607D+01 -0.100022D+01  0.459368D+01 -0.375293D+00
      3  -0.481456D+00 -0.100022D+01  0.734919D+01  0.661943D+01  0.964932D-01
                66            67            68            69            70 
      1   0.661943D+01  0.189184D+01  0.543435D+00 -0.267587D+01  0.442009D+01
      2   0.964932D-01  0.543435D+00 -0.171568D+02  0.957447D+01 -0.627812D+00
      3   0.526124D-01 -0.267587D+01  0.957447D+01  0.385573D+02  0.172629D+01
                71            72            73            74            75 
      1  -0.627812D+00  0.172629D+01  0.103011D+00 -0.431725D+00 -0.784419D+00
      2   0.218845D+02  0.104569D+01 -0.431725D+00 -0.123459D+00 -0.639786D+00
      3   0.104569D+01 -0.135636D+02 -0.784419D+00 -0.639786D+00 -0.105630D+01
                76            77            78            79            80 
      1   0.338567D+00 -0.486539D+00 -0.470350D+00  0.572462D+00 -0.639462D+00
      2  -0.486539D+00  0.507217D+01  0.446412D+01 -0.639462D+00  0.547404D+01
      3  -0.470350D+00  0.446412D+01  0.444544D+01 -0.100767D+01  0.695714D+01
                81            82            83            84            85 
      1  -0.100767D+01 -0.106704D+01  0.852434D+01  0.273598D+01  0.408595D+01
      2   0.695714D+01  0.852434D+01  0.255751D+00 -0.933126D+00 -0.109112D+01
      3   0.113226D+02  0.273598D+01 -0.933126D+00 -0.275259D+01 -0.198888D+01
                86            87            88            89            90 
      1  -0.109112D+01 -0.198888D+01 -0.251508D+01 -0.426287D+00 -0.326947D+01
      2   0.168514D+02  0.157557D+02 -0.426287D+00 -0.525342D+01  0.176233D+02
      3   0.157557D+02  0.232605D+02 -0.326947D+01  0.176233D+02  0.331115D+02
                91            92            93            94            95 
      1   0.104330D+00 -0.972351D+00 -0.432510D+00  0.598066D+00 -0.707528D+00
      2  -0.972351D+00 -0.958822D+00 -0.238249D+00 -0.707528D+00  0.155087D+02
      3  -0.432510D+00 -0.238249D+00  0.776667D-01  0.906433D-01  0.634921D-01
                96            97            98            99           100 
      1   0.906433D-01 -0.993565D-01  0.930964D-02 -0.142939D+00  0.537932D+00
      2   0.634921D-01  0.930964D-02 -0.328087D+01  0.133029D+01  0.546125D+00
      3  -0.111823D+01 -0.142939D+00  0.133029D+01  0.872022D+00 -0.267983D+01
               101           102           103           104           105 
      1   0.546125D+00 -0.267983D+01 -0.210149D+01  0.207265D+01  0.158120D+01
      2  -0.179408D+01  0.249081D+01  0.207265D+01 -0.172567D+02 -0.213982D+02
      3   0.249081D+01  0.532463D+01  0.158120D+01 -0.213982D+02 -0.118707D+02
               106           107           108           109           110 
      1   0.106853D+00  0.212806D+01  0.291572D+01  0.373612D+00  0.191978D+01
      2   0.212806D+01 -0.197909D+02 -0.222950D+02  0.191978D+01  0.371745D+00
      3   0.291572D+01 -0.222950D+02 -0.317876D+02 -0.336550D+01 -0.330710D+00
               111           112           113           114           115 
      1  -0.336550D+01  0.111830D+01 -0.516671D+01 -0.615043D+01 -0.218296D+01
      2  -0.330710D+00 -0.516671D+01  0.414208D+02  0.473431D+02 -0.947777D+00
      3   0.594097D+00 -0.615043D+01  0.473431D+02  0.680091D+02 -0.775741D+00
               116           117           118           119           120 
      1  -0.947777D+00 -0.775741D+00  0.156260D+00  0.685517D+00 -0.988329D-01
      2   0.104229D+02  0.114463D+02  0.685517D+00  0.319332D+01 -0.513211D+00
      3   0.114463D+02  0.117061D+02 -0.988329D-01 -0.513211D+00 -0.245719D+01
               121           122           123           124           125 
      1   0.600817D+00  0.329956D+00 -0.617965D-01 -0.242741D+00 -0.353269D+00
      2   0.329956D+00  0.690609D+01 -0.508665D+01 -0.353269D+00 -0.151925D+01
      3  -0.617965D-01 -0.508665D+01  0.349149D+01 -0.158598D+00  0.522427D+01
               126           127           128           129           130 
      1  -0.158598D+00 -0.773733D+01  0.345799D+01  0.454366D+01  0.196382D+01
      2   0.522427D+01  0.345799D+01  0.121747D+01 -0.804466D+01 -0.843170D+00
      3  -0.135365D+01  0.454366D+01 -0.804466D+01 -0.117912D+02 -0.221500D+01
               131           132           133           134           135 
      1  -0.843170D+00 -0.221500D+01  0.136945D+01 -0.269749D+01 -0.363512D+01
      2   0.123310D+02  0.446316D+01 -0.269749D+01  0.696909D+01  0.726182D+01
      3   0.446316D+01  0.410085D+01 -0.363512D+01  0.726182D+01  0.236674D+02
               136           137           138           139           140 
      1   0.737637D+01 -0.204409D+01 -0.557500D+01 -0.758705D+00  0.109445D+01
      2  -0.204409D+01  0.116763D+01  0.506284D+01  0.109445D+01 -0.262137D+01
      3  -0.557500D+01  0.506284D+01  0.121042D+02  0.354086D+00 -0.108652D+01
               141           142           143           144           145 
      1   0.354086D+00 -0.359050D+00  0.451181D+00  0.165538D+01  0.593645D+01
      2  -0.108652D+01  0.451181D+00 -0.161726D+01 -0.932619D+00 -0.203109D+01
      3   0.185782D+00  0.165538D+01 -0.932619D+00 -0.584280D+01  0.924298D-01
               146           147           148           149           150 
      1  -0.203109D+01  0.924298D-01 -0.128515D+01 -0.228343D+01  0.722306D-01
      2  -0.270535D+01  0.148053D+01 -0.228343D+01 -0.300338D+01  0.867937D+00
      3   0.148053D+01 -0.269023D+01  0.722306D-01  0.867937D+00  0.785203D+01
               151           152           153           154           155 
      1  -0.225778D+00  0.214651D+00 -0.107176D+01  0.606288D+00  0.171793D+01
      2   0.214651D+00  0.179566D+00  0.303101D+01  0.171793D+01  0.256225D+01
      3  -0.107176D+01  0.303101D+01 -0.549010D+01 -0.551630D+00 -0.859972D+00
               156           157           158           159           160 
      1  -0.551630D+00  0.121181D+01  0.169515D+01 -0.318562D+00 -0.113289D+00
      2  -0.859972D+00  0.169515D+01  0.753709D+01 -0.230372D+01 -0.160629D+00
      3   0.222056D+01 -0.318562D+00 -0.230372D+01  0.220204D+01  0.736858D+00
               161           162           163           164           165 
      1  -0.160629D+00  0.736858D+00 -0.641493D+01  0.176685D+01 -0.143858D+01
      2  -0.524442D+00  0.124922D+01  0.176685D+01 -0.150873D+01  0.633690D+00
      3   0.124922D+01 -0.458734D+00 -0.143858D+01  0.633690D+00 -0.316200D+01
               166           167           168           169           170 
      1   0.798858D+00 -0.918055D+00  0.376017D+00 -0.849084D-02 -0.272851D-01
      2  -0.918055D+00  0.133921D+01 -0.547634D+00 -0.272851D-01 -0.317989D-01
      3   0.376017D+00 -0.547634D+00 -0.873550D+00 -0.963980D+00  0.185121D+00
               171           172           173           174           175 
      1  -0.963980D+00 -0.677205D+01 -0.371930D+00  0.178899D+01  0.177506D+00
      2   0.185121D+00 -0.371930D+00  0.189011D+01 -0.826511D+00  0.171871D+01
      3   0.435879D+00  0.178899D+01 -0.826511D+00  0.464877D+01 -0.580630D+00
               176           177           178           179           180 
      1   0.171871D+01 -0.580630D+00  0.623262D+00 -0.260796D+00  0.236525D+01
      2   0.177025D+01  0.683177D+00 -0.260796D+00  0.771006D+00 -0.597721D+01
      3   0.683177D+00 -0.850093D+01  0.236525D+01 -0.597721D+01  0.266833D+01
               181           182           183           184           185 
      1   0.766775D+01  0.850404D+00 -0.302194D+01 -0.126511D+00  0.743728D+00
      2   0.850404D+00  0.138241D+01 -0.193092D+00  0.743728D+00 -0.201939D+00
      3  -0.302194D+01 -0.193092D+00  0.330208D+01 -0.259852D-01 -0.563486D+00
               186           187           188           189           190 
      1  -0.259852D-01 -0.707746D+00 -0.593036D-01  0.122122D+01 -0.223580D+00
      2  -0.563486D+00 -0.593036D-01 -0.111762D+00  0.815600D+00  0.751842D+00
      3   0.696905D+00  0.122122D+01  0.815600D+00 -0.118074D+01 -0.189125D+01
               191           192           193           194           195 
      1   0.751842D+00 -0.189125D+01  0.558785D+00 -0.684261D+00  0.428169D+00
      2  -0.124741D+01  0.982654D+00 -0.684261D+00  0.255252D+01 -0.337280D+01
      3   0.982654D+00 -0.401603D+01  0.428169D+00 -0.337280D+01  0.613733D+01
               196           197           198           199           200 
      1  -0.949199D+00  0.282691D+00 -0.131552D+01  0.677205D+01  0.371930D+00
      2   0.282691D+00 -0.236705D+01  0.405205D+01  0.371930D+00 -0.189011D+01
      3  -0.131552D+01  0.405205D+01 -0.127247D+02  0.178899D+01 -0.826511D+00
               201           202           203           204           205 
      1   0.178899D+01 -0.177506D+00 -0.171871D+01 -0.580630D+00  0.623262D+00
      2  -0.826511D+00 -0.171871D+01 -0.177025D+01  0.683177D+00 -0.260796D+00
      3  -0.464877D+01 -0.580630D+00  0.683177D+00  0.850093D+01 -0.236525D+01
               206           207           208           209           210 
      1  -0.260796D+00 -0.236525D+01  0.223580D+00 -0.751842D+00 -0.189125D+01
      2   0.771006D+00  0.597721D+01 -0.751842D+00  0.124741D+01  0.982654D+00
      3   0.597721D+01  0.266833D+01 -0.189125D+01  0.982654D+00  0.401603D+01
               211           212           213           214           215 
      1  -0.558785D+00  0.684261D+00  0.428169D+00 -0.949199D+00  0.282691D+00
      2   0.684261D+00 -0.255252D+01 -0.337280D+01  0.282691D+00 -0.236705D+01
      3   0.428169D+00 -0.337280D+01 -0.613733D+01  0.131552D+01 -0.405205D+01
               216           217           218           219           220 
      1   0.131552D+01 -0.766775D+01 -0.850404D+00 -0.302194D+01  0.126511D+00
      2  -0.405205D+01 -0.850404D+00 -0.138241D+01 -0.193092D+00 -0.743728D+00
      3  -0.127247D+02 -0.302194D+01 -0.193092D+00 -0.330208D+01 -0.259852D-01
               221           222           223           224           225 
      1  -0.743728D+00 -0.259852D-01 -0.707746D+00 -0.593036D-01 -0.122122D+01
      2   0.201939D+00 -0.563486D+00 -0.593036D-01 -0.111762D+00 -0.815600D+00
      3  -0.563486D+00 -0.696905D+00 -0.122122D+01 -0.815600D+00 -0.118074D+01
               226           227           228           229           230 
      1  -0.593645D+01  0.203109D+01  0.924297D-01  0.128515D+01  0.228343D+01
      2   0.203109D+01  0.270535D+01  0.148053D+01  0.228343D+01  0.300338D+01
      3   0.924297D-01  0.148053D+01  0.269023D+01  0.722306D-01  0.867938D+00
               231           232           233           234           235 
      1   0.722306D-01 -0.225778D+00  0.214651D+00  0.107176D+01  0.641493D+01
      2   0.867938D+00  0.214651D+00  0.179566D+00 -0.303101D+01 -0.176685D+01
      3  -0.785203D+01  0.107176D+01 -0.303101D+01 -0.549010D+01 -0.143858D+01
               236           237           238           239           240 
      1  -0.176685D+01 -0.143858D+01 -0.798858D+00  0.918055D+00  0.376017D+00
      2   0.150873D+01  0.633690D+00  0.918055D+00 -0.133921D+01 -0.547634D+00
      3   0.633690D+00  0.316200D+01  0.376017D+00 -0.547634D+00  0.873550D+00
               241           242           243           244           245 
      1  -0.849085D-02 -0.272851D-01  0.963980D+00 -0.606288D+00 -0.171793D+01
      2  -0.272851D-01 -0.317989D-01 -0.185121D+00 -0.171793D+01 -0.256225D+01
      3   0.963980D+00 -0.185121D+00  0.435879D+00 -0.551630D+00 -0.859972D+00
               246           247           248           249           250 
      1  -0.551630D+00 -0.121181D+01 -0.169515D+01 -0.318562D+00 -0.113289D+00
      2  -0.859972D+00 -0.169515D+01 -0.753709D+01 -0.230372D+01 -0.160629D+00
      3  -0.222056D+01 -0.318562D+00 -0.230372D+01 -0.220204D+01 -0.736858D+00
               251           252           253           254           255 
      1  -0.160629D+00 -0.736858D+00  0.773733D+01 -0.345799D+01  0.454366D+01
      2  -0.524442D+00 -0.124922D+01 -0.345799D+01 -0.121747D+01 -0.804466D+01
      3  -0.124922D+01 -0.458734D+00  0.454366D+01 -0.804466D+01  0.117912D+02
               256           257           258           259           260 
      1  -0.196382D+01  0.843170D+00 -0.221500D+01  0.136945D+01 -0.269749D+01
      2   0.843170D+00 -0.123310D+02  0.446316D+01 -0.269749D+01  0.696909D+01
      3  -0.221500D+01  0.446316D+01 -0.410085D+01  0.363512D+01 -0.726182D+01
               261           262           263           264           265 
      1   0.363512D+01 -0.737637D+01  0.204409D+01 -0.557500D+01  0.758705D+00
      2  -0.726182D+01  0.204409D+01 -0.116763D+01  0.506284D+01 -0.109445D+01
      3   0.236674D+02 -0.557500D+01  0.506284D+01 -0.121042D+02  0.354086D+00
               266           267           268           269           270 
      1  -0.109445D+01  0.354086D+00 -0.359050D+00  0.451181D+00 -0.165538D+01
      2   0.262137D+01 -0.108652D+01  0.451181D+00 -0.161726D+01  0.932619D+00
      3  -0.108652D+01 -0.185782D+00 -0.165538D+01  0.932619D+00 -0.584280D+01
               271           272           273           274           275 
      1  -0.373611D+00 -0.191978D+01 -0.336550D+01 -0.111830D+01  0.516671D+01
      2  -0.191978D+01 -0.371746D+00 -0.330709D+00  0.516671D+01 -0.414208D+02
      3  -0.336550D+01 -0.330709D+00 -0.594097D+00 -0.615043D+01  0.473431D+02
               276           277           278           279           280 
      1  -0.615043D+01 -0.218296D+01 -0.947777D+00  0.775742D+00 -0.156260D+00
      2   0.473431D+02 -0.947777D+00  0.104229D+02 -0.114463D+02 -0.685517D+00
      3  -0.680091D+02  0.775742D+00 -0.114463D+02  0.117061D+02 -0.988330D-01
               281           282           283           284           285 
      1  -0.685517D+00 -0.988330D-01 -0.600817D+00 -0.329956D+00 -0.617965D-01
      2  -0.319332D+01 -0.513210D+00 -0.329956D+00 -0.690609D+01 -0.508665D+01
      3  -0.513210D+00  0.245719D+01 -0.617965D-01 -0.508665D+01 -0.349149D+01
               286           287           288           289           290 
      1  -0.242741D+00 -0.353269D+00  0.158598D+00 -0.537932D+00 -0.546124D+00
      2  -0.353269D+00 -0.151925D+01 -0.522427D+01 -0.546124D+00  0.179408D+01
      3   0.158598D+00 -0.522427D+01 -0.135365D+01 -0.267983D+01  0.249081D+01
               291           292           293           294           295 
      1  -0.267983D+01  0.210149D+01 -0.207265D+01  0.158120D+01  0.106853D+00
      2   0.249081D+01 -0.207265D+01  0.172567D+02 -0.213982D+02  0.212806D+01
      3  -0.532463D+01  0.158120D+01 -0.213982D+02  0.118707D+02 -0.291572D+01
               296           297           298           299           300 
      1   0.212806D+01 -0.291572D+01  0.106704D+01 -0.852434D+01  0.273598D+01
      2  -0.197909D+02  0.222950D+02 -0.852434D+01 -0.255752D+00 -0.933126D+00
      3   0.222950D+02 -0.317876D+02  0.273598D+01 -0.933126D+00  0.275259D+01
               301           302           303           304           305 
      1  -0.408595D+01  0.109112D+01 -0.198888D+01 -0.251507D+01 -0.426286D+00
      2   0.109112D+01 -0.168514D+02  0.157557D+02 -0.426286D+00 -0.525342D+01
      3  -0.198888D+01  0.157557D+02 -0.232605D+02  0.326947D+01 -0.176233D+02
               306           307           308           309           310 
      1   0.326947D+01 -0.104330D+00  0.972352D+00 -0.432510D+00 -0.598066D+00
      2  -0.176233D+02  0.972352D+00  0.958822D+00 -0.238249D+00  0.707528D+00
      3   0.331115D+02 -0.432510D+00 -0.238249D+00 -0.776666D-01  0.906433D-01
               311           312           313           314           315 
      1   0.707528D+00  0.906433D-01 -0.993565D-01  0.930962D-02  0.142939D+00
      2  -0.155087D+02  0.634921D-01  0.930962D-02 -0.328087D+01 -0.133029D+01
      3   0.634921D-01  0.111823D+01  0.142939D+00 -0.133029D+01  0.872022D+00
               316           317           318           319           320 
      1   0.159123D+01 -0.459368D+01  0.661943D+01 -0.189184D+01 -0.543434D+00
      2  -0.459368D+01  0.375294D+00  0.964929D-01 -0.543434D+00  0.171568D+02
      3   0.661943D+01  0.964929D-01 -0.526122D-01 -0.267587D+01  0.957447D+01
               321           322           323           324           325 
      1  -0.267587D+01  0.442009D+01 -0.627812D+00 -0.172629D+01 -0.103011D+00
      2   0.957447D+01 -0.627812D+00  0.218845D+02 -0.104569D+01  0.431725D+00
      3  -0.385573D+02 -0.172629D+01 -0.104569D+01 -0.135636D+02 -0.784419D+00
               326           327           328           329           330 
      1   0.431725D+00 -0.784419D+00 -0.338567D+00  0.486539D+00 -0.470350D+00
      2   0.123459D+00 -0.639786D+00  0.486539D+00 -0.507217D+01  0.446412D+01
      3  -0.639786D+00  0.105630D+01 -0.470350D+00  0.446412D+01 -0.444544D+01
               331           332           333           334           335 
      1   0.572462D+00 -0.639462D+00  0.100767D+01  0.112755D+01 -0.174510D+01
      2  -0.639462D+00  0.547404D+01 -0.695714D+01 -0.174510D+01  0.579870D+01
      3   0.100767D+01 -0.695714D+01  0.113226D+02  0.783274D+01 -0.688062D+00
               336           337           338           339           340 
      1   0.783274D+01  0.381492D+01  0.141213D+01  0.258410D+01  0.132064D+01
      2  -0.688062D+00  0.141213D+01 -0.256515D+02  0.240874D+00 -0.124399D+01
      3  -0.353102D+01  0.258410D+01  0.240874D+00  0.343193D+02 -0.116249D+01
               341           342           343           344           345 
      1  -0.124399D+01 -0.116249D+01 -0.198848D+00  0.421070D+00 -0.963266D+00
      2   0.277661D+02 -0.118166D+01  0.421070D+00 -0.177651D+00  0.671842D-01
      3  -0.118166D+01 -0.759764D+01 -0.963266D+00  0.671842D-01  0.819275D+00
               346           347           348           349           350 
      1   0.651119D-01  0.138526D+00  0.183553D+00  0.605372D+00 -0.518737D-03
      2   0.138526D+00  0.968490D+00  0.141988D+01 -0.518737D-03  0.184607D+01
      3   0.183553D+00  0.141988D+01  0.223098D+01  0.481456D+00  0.100022D+01
               351 
      1   0.481456D+00
      2   0.100022D+01
      3   0.734919D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273243D-04 -0.918923D-03  0.224607D+02  0.195682D-03 -0.399880D-03
      2   0.655287D-04  0.219186D-03 -0.242081D+03 -0.227080D-03 -0.398271D-03
      3   0.190930D+02 -0.501147D+03 -0.318206D-04 -0.232965D+02 -0.941606D+02
                 6             7             8             9            10 
      1  -0.379829D+02 -0.138412D+02 -0.435795D+03 -0.588182D-03 -0.267745D+02
      2  -0.942736D+02  0.179072D+03 -0.209307D+04 -0.791549D-03 -0.420906D+01
      3   0.352711D-03 -0.196836D-04 -0.436602D-03 -0.502058D+03 -0.100369D+02
                11            12            13            14            15 
      1   0.518558D+02  0.148325D+02 -0.204202D+02 -0.337048D+03  0.154498D+03
      2  -0.426260D+03 -0.588144D+02  0.134224D+03 -0.133308D+04  0.354945D+02
      3  -0.204548D+01  0.339127D+03 -0.562266D+01  0.997199D+02 -0.281179D+03
                16            17            18            19            20 
      1   0.153661D+01 -0.113641D+03 -0.150469D+03  0.445265D+02 -0.981766D+02
      2   0.541998D+02 -0.582602D+03  0.120065D+03  0.954869D+01  0.524227D+03
      3  -0.957594D+01  0.189032D+03 -0.292867D+03  0.168213D+02 -0.324889D+02
                21            22            23            24            25 
      1  -0.119989D+02 -0.522094D+02 -0.385590D+01  0.363004D+03  0.280442D+01
      2   0.147180D+03  0.135605D+03 -0.152820D+04 -0.172672D+03 -0.191596D+03
      3  -0.555255D+03  0.472754D+02 -0.323242D+03 -0.385045D+03  0.732178D+01
                26            27            28            29            30 
      1   0.423916D+03  0.607092D+02 -0.445264D+02  0.981767D+02 -0.119989D+02
      2   0.193374D+04 -0.458823D+02 -0.954866D+01 -0.524227D+03  0.147180D+03
      3  -0.474790D+02  0.477223D+03  0.168212D+02 -0.324888D+02  0.555255D+03
                31            32            33            34            35 
      1   0.522094D+02  0.385570D+01  0.363004D+03  0.280438D+01  0.423916D+03
      2  -0.135605D+03  0.152820D+04 -0.172672D+03 -0.191596D+03  0.193374D+04
      3   0.472753D+02 -0.323242D+03  0.385045D+03 -0.732184D+01  0.474788D+02
                36            37            38            39            40 
      1  -0.607092D+02  0.267746D+02 -0.518559D+02  0.148324D+02  0.204202D+02
      2   0.458826D+02  0.420907D+01  0.426260D+03 -0.588145D+02 -0.134224D+03
      3   0.477223D+03 -0.100369D+02 -0.204539D+01 -0.339127D+03 -0.562270D+01
                41            42            43            44            45 
      1   0.337048D+03  0.154498D+03  0.153660D+01 -0.113641D+03  0.150469D+03
      2   0.133308D+04  0.354945D+02  0.541998D+02 -0.582602D+03 -0.120065D+03
      3   0.997198D+02  0.281179D+03  0.957598D+01 -0.189032D+03 -0.292867D+03
                46            47            48            49            50 
      1  -0.431703D+02 -0.519840D+01 -0.187739D+02 -0.213209D+02  0.199753D+02
      2  -0.222264D+02  0.257805D+03  0.545856D+02  0.738433D+02 -0.407221D+03
      3  -0.183330D+01  0.139802D+03 -0.472088D+02  0.184763D+02 -0.135519D+03
                51            52            53            54            55 
      1   0.207328D+03 -0.117385D+02  0.748330D+02  0.736032D+02  0.393553D+01
      2  -0.932427D+02  0.129512D+02 -0.922611D+02 -0.121963D+03  0.128697D+01
      3  -0.841580D+02  0.252882D+02 -0.201834D+03  0.306397D+02 -0.225344D+01
                56            57            58            59            60 
      1  -0.146799D+01  0.292525D+01 -0.867445D+00 -0.220769D+02  0.228541D+02
      2  -0.332284D+02 -0.549243D+01  0.128474D+01  0.299124D+01  0.121216D+01
      3  -0.477696D+00  0.353573D+02  0.801564D+00 -0.410889D+01  0.630113D+01
                61            62            63            64            65 
      1   0.259628D+01  0.762031D+01 -0.325866D+02 -0.160253D+02  0.703519D+00
      2  -0.316141D+01 -0.198557D+02 -0.404405D+01  0.300561D+01  0.453995D+02
      3   0.126513D+01  0.338893D+00 -0.303636D+01  0.232400D+01  0.191039D+02
                66            67            68            69            70 
      1   0.543377D+00  0.188648D+02 -0.109262D+03 -0.205540D+03 -0.109998D+02
      2  -0.619807D+01 -0.226702D+02  0.109443D+03  0.104376D+03  0.140833D+02
      3  -0.170145D+02 -0.278738D+02  0.189374D+03 -0.119323D+02  0.281414D+02
                71            72            73            74            75 
      1   0.408780D+02  0.808619D+02  0.323081D+01  0.740461D+00  0.256161D+01
      2  -0.240461D+03 -0.541979D+02  0.126247D+01 -0.345369D+02 -0.386150D+00
      3  -0.933442D+02 -0.138558D+02 -0.689686D+00 -0.289037D+02  0.222595D+01
                76            77            78            79            80 
      1   0.266403D+00 -0.579578D+01 -0.414308D+01  0.226963D+01 -0.128970D+02
      2   0.813787D+00 -0.287618D+02  0.278996D+00 -0.269064D+01 -0.115431D+02
      3   0.237044D+01  0.689228D+00 -0.110905D+02  0.734974D+01 -0.450651D+01
                81            82            83            84            85 
      1  -0.276960D+02  0.176536D+01  0.315623D+01  0.112134D+02  0.793301D+01
      2  -0.374456D+01 -0.423684D+01 -0.165339D+02  0.113181D+02 -0.148641D+02
      3  -0.287144D+01 -0.339270D+01  0.253138D+02  0.336056D+02  0.571482D+01
                86            87            88            89            90 
      1  -0.585784D+02 -0.925496D+02  0.154445D+02 -0.100826D+03 -0.118467D+03
      2   0.396976D+02  0.483876D+02 -0.100099D+02  0.155967D+03  0.966523D+02
      3   0.821239D+02 -0.740370D+01 -0.404981D+02  0.187149D+03 -0.487864D+01
                91            92            93            94            95 
      1   0.175426D+01  0.300180D+01 -0.428339D+00 -0.205495D+01  0.244883D+02
      2  -0.234919D+00  0.179686D+02  0.281533D+01  0.328228D+01 -0.206693D+02
      3   0.220988D+01 -0.242477D+02 -0.267056D+02  0.634318D+01 -0.151724D+01
                96            97            98            99           100 
      1   0.484326D+01  0.782240D+00 -0.118361D+02 -0.874418D+00  0.147374D+02
      2  -0.579596D+00 -0.148163D+01 -0.408416D+01  0.136114D+01 -0.154680D+02
      3  -0.617276D+01 -0.156097D+01  0.175369D+01 -0.253058D+01  0.316558D+01
               101           102           103           104           105 
      1  -0.190746D+02 -0.300803D+02  0.547249D+00  0.610919D+02 -0.725185D+02
      2   0.278137D+03  0.118616D+03 -0.361240D+01  0.301623D+02 -0.359543D+02
      3  -0.499777D+02 -0.113730D+03  0.151122D+02 -0.107961D+03 -0.279926D+01
               106           107           108           109           110 
      1  -0.137107D+02 -0.249239D+01  0.176389D+03  0.906857D+01  0.702804D+01
      2   0.364327D+02 -0.377769D+03 -0.945584D+02  0.649811D+01 -0.180524D+03
      3   0.227411D+02 -0.155646D+03 -0.230249D+02  0.103536D+01  0.306945D+02
               111           112           113           114           115 
      1   0.798792D+01  0.339904D+02 -0.203988D+03 -0.407738D+03  0.358287D+01
      2   0.308256D+01 -0.400459D+01  0.121777D+03  0.149723D+03 -0.262567D+02
      3   0.304481D+02 -0.344431D+02  0.238274D+03  0.429241D+02 -0.464335D+02
               116           117           118           119           120 
      1   0.124785D+02 -0.365023D+02 -0.733853D+01  0.100270D+02  0.136846D+02
      2   0.378298D+03  0.146198D+03  0.812617D+01 -0.205990D+03 -0.647379D+02
      3   0.250984D+03  0.231075D+02 -0.540109D+01  0.409103D+02  0.125971D+03
               121           122           123           124           125 
      1  -0.191360D+01 -0.620715D+01 -0.973742D+01  0.229258D+00 -0.147563D+02
      2   0.178146D+02 -0.125215D+03  0.707477D+01  0.379568D+01 -0.321153D+02
      3   0.389958D+01  0.588874D+01 -0.437456D+02 -0.526554D+01  0.148760D+01
               126           127           128           129           130 
      1  -0.317079D+01 -0.243750D+02  0.481825D+02  0.414520D+02  0.543825D+01
      2  -0.422121D+01 -0.189560D+02 -0.355582D+02  0.454101D+01  0.360643D+02
      3   0.108553D+02 -0.136147D+02  0.806678D+02  0.111681D+03  0.715606D+01
               131           132           133           134           135 
      1  -0.115087D+03 -0.275909D+02  0.139014D+02 -0.414343D+02 -0.768373D+02
      2  -0.374210D+03  0.120851D+01  0.103193D+02 -0.138529D+03  0.132298D+02
      3  -0.184502D+02 -0.639366D+02  0.343089D+01 -0.159197D+02  0.120492D+02
               136           137           138           139           140 
      1   0.162433D+02 -0.123063D+02 -0.415054D+02 -0.334601D+01  0.138869D+02
      2   0.141195D+02  0.220406D+01  0.665691D+01 -0.180763D+01  0.168705D+02
      3   0.398016D+01 -0.134697D+02 -0.952430D+01  0.714716D-01  0.107145D+01
               141           142           143           144           145 
      1  -0.165829D+01 -0.318251D+01  0.877827D+01  0.159779D+02  0.681931D+01
      2   0.399673D+01 -0.352840D+01  0.444009D+02 -0.355991D+01  0.235672D+02
      3  -0.127332D+02  0.147040D+01 -0.200742D+02 -0.883118D+01  0.108399D+02
               146           147           148           149           150 
      1   0.443521D+01 -0.257674D+01  0.113394D+02  0.247346D+02 -0.249922D+02
      2  -0.602875D+02  0.840726D+01 -0.126459D+02  0.402990D+02 -0.484055D+00
      3  -0.105328D+02  0.914219D+01 -0.171505D+01  0.164076D+02  0.328712D+02
               151           152           153           154           155 
      1   0.180737D+01  0.515960D+01 -0.611859D+01 -0.601902D+01 -0.103785D+02
      2  -0.699474D+01  0.252064D+02 -0.564057D+01  0.165459D+01  0.663363D+01
      3   0.277154D+00  0.119586D+02  0.341080D+02  0.123154D+01  0.417408D+01
               156           157           158           159           160 
      1  -0.237507D+01 -0.663870D+01 -0.303766D+02  0.539974D+00 -0.107622D+01
      2  -0.821146D+00  0.511051D+01 -0.169403D+01  0.755866D+00 -0.469496D+00
      3  -0.298842D+01  0.507757D+01  0.414174D+01 -0.178852D+01 -0.225419D+00
               161           162           163           164           165 
      1  -0.105083D+01 -0.611506D+01 -0.446688D+01  0.604692D+01  0.516595D+01
      2  -0.187513D+01  0.200755D+01 -0.228741D+02  0.880975D+01 -0.943662D+00
      3  -0.253198D+01 -0.325153D+01 -0.121585D+02 -0.848352D+00 -0.980900D+00
               166           167           168           169           170 
      1   0.306803D+01 -0.473246D+01  0.260530D+01  0.166294D+01  0.847801D+00
      2   0.254929D+01 -0.838941D+00  0.492680D+00 -0.551670D+00 -0.652149D+01
      3   0.221850D+01 -0.101315D+01  0.964534D-01  0.282008D+00 -0.182885D+01
               171           172           173           174           175 
      1  -0.340435D+01  0.297648D+00 -0.606814D+01 -0.185172D+01 -0.959106D+01
      2  -0.431352D+01 -0.347159D+02  0.180714D+02  0.152684D+02  0.403176D+01
      3   0.233549D+01 -0.510178D+01 -0.388835D+01  0.999013D+01  0.148976D+01
               176           177           178           179           180 
      1  -0.187086D+02  0.485360D+01 -0.108743D+01  0.936856D+01  0.347827D+02
      2  -0.932703D+01 -0.613900D+01  0.101606D+01  0.595446D+01  0.819107D+01
      3  -0.391957D+01 -0.134481D+02  0.813966D+00  0.172402D+00  0.148852D+02
               181           182           183           184           185 
      1  -0.191687D+01 -0.886925D+01 -0.202696D+01 -0.372740D+01  0.262433D+01
      2   0.364241D+02  0.351192D+01 -0.911509D+01 -0.717686D+00  0.215924D+01
      3   0.665118D+01 -0.386056D+01 -0.429712D+01  0.651977D+00  0.193164D+01
               186           187           188           189           190 
      1   0.272260D+00 -0.692172D+00  0.284204D+00 -0.410276D+01 -0.206412D+01
      2  -0.158274D+00 -0.345471D+01 -0.161030D+01  0.706318D+01 -0.158628D+01
      3   0.896220D+00 -0.582564D+00  0.149420D+01 -0.459248D+00 -0.537158D+00
               191           192           193           194           195 
      1   0.633154D+01  0.205644D-01  0.341009D+01 -0.103979D+02  0.860991D+01
      2   0.322842D+01 -0.887157D+01  0.347278D+01 -0.246561D+01  0.336603D+01
      3  -0.125340D+01 -0.544816D+01  0.194437D+01  0.393080D+00  0.410315D+01
               196           197           198           199           200 
      1   0.219668D-03  0.145690D+02 -0.804517D+01 -0.297664D+00  0.606821D+01
      2  -0.944088D+01  0.149856D+02 -0.967326D+01  0.347158D+02 -0.180714D+02
      3  -0.211168D+01  0.289144D+01  0.143242D+01 -0.510178D+01 -0.388837D+01
               201           202           203           204           205 
      1  -0.185176D+01  0.959105D+01  0.187086D+02  0.485357D+01 -0.108743D+01
      2   0.152684D+02 -0.403174D+01  0.932702D+01 -0.613899D+01  0.101607D+01
      3  -0.999013D+01  0.148977D+01 -0.391956D+01  0.134481D+02 -0.813976D+00
               206           207           208           209           210 
      1   0.936855D+01 -0.347827D+02  0.206412D+01 -0.633155D+01  0.205598D-01
      2   0.595444D+01 -0.819107D+01  0.158628D+01 -0.322842D+01 -0.887157D+01
      3  -0.172396D+00  0.148852D+02 -0.537159D+00 -0.125340D+01  0.544816D+01
               211           212           213           214           215 
      1  -0.341009D+01  0.103979D+02  0.860990D+01  0.218045D-03  0.145690D+02
      2  -0.347278D+01  0.246561D+01  0.336602D+01 -0.944088D+01  0.149856D+02
      3   0.194437D+01  0.393075D+00 -0.410315D+01  0.211168D+01 -0.289145D+01
               216           217           218           219           220 
      1   0.804518D+01  0.191687D+01  0.886926D+01 -0.202695D+01  0.372741D+01
      2   0.967326D+01 -0.364241D+02 -0.351190D+01 -0.911509D+01  0.717679D+00
      3   0.143242D+01  0.665117D+01 -0.386056D+01  0.429712D+01  0.651980D+00
               221           222           223           224           225 
      1  -0.262432D+01  0.272267D+00 -0.692178D+00  0.284207D+00  0.410276D+01
      2  -0.215925D+01 -0.158272D+00 -0.345471D+01 -0.161031D+01 -0.706316D+01
      3   0.193164D+01 -0.896221D+00  0.582565D+00 -0.149420D+01 -0.459250D+00
               226           227           228           229           230 
      1  -0.681933D+01 -0.443524D+01 -0.257673D+01 -0.113394D+02 -0.247346D+02
      2  -0.235672D+02  0.602875D+02  0.840727D+01  0.126459D+02 -0.402991D+02
      3   0.108399D+02 -0.105328D+02 -0.914219D+01 -0.171507D+01  0.164077D+02
               231           232           233           234           235 
      1  -0.249922D+02  0.180737D+01  0.515967D+01  0.611860D+01  0.446690D+01
      2  -0.484053D+00 -0.699475D+01  0.252064D+02  0.564059D+01  0.228741D+02
      3  -0.328712D+02 -0.277138D+00 -0.119586D+02  0.341080D+02 -0.121585D+02
               236           237           238           239           240 
      1  -0.604692D+01  0.516595D+01 -0.306803D+01  0.473247D+01  0.260530D+01
      2  -0.880976D+01 -0.943663D+00 -0.254930D+01  0.838951D+00  0.492676D+00
      3  -0.848348D+00  0.980899D+00  0.221850D+01 -0.101316D+01 -0.964554D-01
               241           242           243           244           245 
      1   0.166294D+01  0.847816D+00  0.340436D+01  0.601902D+01  0.103785D+02
      2  -0.551666D+00 -0.652149D+01  0.431352D+01 -0.165458D+01 -0.663363D+01
      3  -0.282007D+00  0.182886D+01  0.233549D+01  0.123153D+01  0.417408D+01
               246           247           248           249           250 
      1  -0.237506D+01  0.663869D+01  0.303765D+02  0.539984D+00 -0.107622D+01
      2  -0.821141D+00 -0.511051D+01  0.169403D+01  0.755868D+00 -0.469497D+00
      3   0.298842D+01  0.507757D+01  0.414174D+01  0.178852D+01  0.225419D+00
               251           252           253           254           255 
      1  -0.105082D+01  0.611506D+01  0.243749D+02 -0.481818D+02  0.414520D+02
      2  -0.187513D+01 -0.200754D+01  0.189559D+02  0.355579D+02  0.454098D+01
      3   0.253198D+01 -0.325153D+01 -0.136145D+02  0.806678D+02 -0.111681D+03
               256           257           258           259           260 
      1  -0.543824D+01  0.115087D+03 -0.275908D+02  0.139015D+02 -0.414342D+02
      2  -0.360640D+02  0.374210D+03  0.120864D+01  0.103194D+02 -0.138530D+03
      3   0.715588D+01 -0.184505D+02  0.639366D+02 -0.343089D+01  0.159196D+02
               261           262           263           264           265 
      1   0.768373D+02 -0.162433D+02  0.123063D+02 -0.415054D+02  0.334601D+01
      2  -0.132292D+02 -0.141195D+02 -0.220407D+01  0.665690D+01  0.180763D+01
      3   0.120489D+02  0.398016D+01 -0.134697D+02  0.952431D+01  0.714692D-01
               266           267           268           269           270 
      1  -0.138869D+02 -0.165829D+01 -0.318251D+01  0.877826D+01 -0.159779D+02
      2  -0.168705D+02  0.399674D+01 -0.352840D+01  0.444009D+02  0.355994D+01
      3   0.107144D+01  0.127332D+02 -0.147040D+01  0.200742D+02 -0.883118D+01
               271           272           273           274           275 
      1  -0.906854D+01 -0.702723D+01  0.798796D+01 -0.339904D+02  0.203989D+03
      2  -0.649813D+01  0.180524D+03  0.308261D+01  0.400464D+01 -0.121778D+03
      3   0.103542D+01  0.306945D+02 -0.304481D+02 -0.344432D+02  0.238275D+03
               276           277           278           279           280 
      1  -0.407737D+03  0.358291D+01  0.124786D+02  0.365021D+02  0.733854D+01
      2   0.149723D+03 -0.262567D+02  0.378298D+03 -0.146198D+03 -0.812617D+01
      3  -0.429244D+02  0.464336D+02 -0.250983D+03  0.231073D+02 -0.540109D+01
               281           282           283           284           285 
      1  -0.100270D+02  0.136846D+02  0.191360D+01  0.620716D+01 -0.973741D+01
      2   0.205990D+03 -0.647379D+02 -0.178146D+02  0.125215D+03  0.707479D+01
      3   0.409103D+02 -0.125971D+03  0.389958D+01  0.588875D+01  0.437456D+02
               286           287           288           289           290 
      1   0.229251D+00 -0.147563D+02  0.317080D+01 -0.147375D+02  0.190742D+02
      2   0.379569D+01 -0.321153D+02  0.422122D+01  0.154680D+02 -0.278137D+03
      3   0.526554D+01 -0.148760D+01  0.108553D+02  0.316555D+01 -0.499775D+02
               291           292           293           294           295 
      1  -0.300802D+02 -0.547203D+00 -0.610922D+02 -0.725185D+02 -0.137107D+02
      2   0.118616D+03  0.361234D+01 -0.301621D+02 -0.359543D+02  0.364327D+02
      3   0.113730D+03  0.151121D+02 -0.107961D+03  0.279926D+01 -0.227411D+02
               296           297           298           299           300 
      1  -0.249249D+01 -0.176389D+03 -0.176531D+01 -0.315643D+01  0.112132D+02
      2  -0.377769D+03  0.945582D+02  0.423684D+01  0.165340D+02  0.113180D+02
      3   0.155646D+03 -0.230248D+02 -0.339269D+01  0.253138D+02 -0.336056D+02
               301           302           303           304           305 
      1  -0.793305D+01  0.585785D+02 -0.925495D+02  0.154445D+02 -0.100826D+03
      2   0.148641D+02 -0.396975D+02  0.483875D+02 -0.100099D+02  0.155967D+03
      3   0.571486D+01  0.821240D+02  0.740364D+01  0.404981D+02 -0.187149D+03
               306           307           308           309           310 
      1   0.118467D+03 -0.175429D+01 -0.300180D+01 -0.428343D+00  0.205495D+01
      2  -0.966523D+02  0.234920D+00 -0.179686D+02  0.281534D+01 -0.328228D+01
      3  -0.487873D+01  0.220988D+01 -0.242477D+02  0.267056D+02  0.634318D+01
               311           312           313           314           315 
      1  -0.244883D+02  0.484326D+01  0.782242D+00 -0.118361D+02  0.874420D+00
      2   0.206693D+02 -0.579596D+00 -0.148163D+01 -0.408416D+01 -0.136114D+01
      3  -0.151725D+01  0.617276D+01  0.156096D+01 -0.175369D+01 -0.253059D+01
               316           317           318           319           320 
      1   0.160255D+02 -0.703565D+00  0.543140D+00 -0.188648D+02  0.109262D+03
      2  -0.300561D+01 -0.453995D+02 -0.619809D+01  0.226703D+02 -0.109443D+03
      3   0.232399D+01  0.191039D+02  0.170144D+02 -0.278738D+02  0.189374D+03
               321           322           323           324           325 
      1  -0.205540D+03 -0.109998D+02  0.408779D+02 -0.808619D+02 -0.323083D+01
      2   0.104376D+03  0.140833D+02 -0.240461D+03  0.541978D+02 -0.126247D+01
      3   0.119323D+02 -0.281415D+02  0.933443D+02 -0.138558D+02 -0.689686D+00
               326           327           328           329           330 
      1  -0.740477D+00  0.256163D+01 -0.266401D+00  0.579578D+01 -0.414308D+01
      2   0.345369D+02 -0.386147D+00 -0.813789D+00  0.287618D+02  0.278998D+00
      3  -0.289037D+02 -0.222595D+01  0.237044D+01  0.689226D+00  0.110905D+02
               331           332           333           334           335 
      1   0.226963D+01 -0.128970D+02  0.276960D+02  0.431700D+02  0.519848D+01
      2  -0.269064D+01 -0.115431D+02  0.374456D+01  0.222264D+02 -0.257805D+03
      3  -0.734974D+01  0.450651D+01 -0.287144D+01 -0.183328D+01  0.139802D+03
               336           337           338           339           340 
      1  -0.187739D+02  0.213208D+02 -0.199754D+02  0.207328D+03 -0.117384D+02
      2   0.545856D+02 -0.738434D+02  0.407221D+03 -0.932428D+02  0.129512D+02
      3   0.472089D+02  0.184762D+02 -0.135519D+03  0.841579D+02 -0.252882D+02
               341           342           343           344           345 
      1   0.748330D+02 -0.736032D+02 -0.393551D+01  0.146802D+01  0.292526D+01
      2  -0.922612D+02  0.121963D+03 -0.128697D+01  0.332284D+02 -0.549244D+01
      3   0.201834D+03  0.306398D+02 -0.225344D+01 -0.477688D+00 -0.353573D+02
               346           347           348           349           350 
      1   0.867446D+00  0.220769D+02  0.228541D+02  0.259629D+01  0.762033D+01
      2  -0.128475D+01 -0.299123D+01  0.121215D+01 -0.316141D+01 -0.198558D+02
      3   0.801567D+00 -0.410890D+01 -0.630113D+01 -0.126513D+01 -0.338892D+00
               351 
      1   0.325866D+02
      2   0.404407D+01
      3  -0.303636D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.496996D+02 -0.292889D+01  0.000000D+00  0.240435D+01  0.435505D+01
      2  -0.351433D+02  0.206714D+01 -0.439303D-05 -0.173295D+01  0.154715D+01
      3  -0.145563D+02  0.861752D+00  0.344817D-05 -0.671400D+00 -0.590220D+01
      4   0.312758D+01  0.837890D+01  0.000000D+00 -0.102439D+02  0.139943D+01
      5  -0.188611D-05 -0.320581D-05 -0.471650D+01  0.000000D+00 -0.156342D-05
      6   0.000000D+00 -0.334459D-05  0.379337D+01  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1  -0.267784D-05  0.354329D-05  0.000000D+00  0.309420D+02  0.112762D+01
      2   0.000000D+00  0.000000D+00  0.000000D+00 -0.155938D+01 -0.591799D+01
      3   0.235991D-05 -0.317809D-05  0.000000D+00 -0.293826D+02  0.479037D+01
      4   0.000000D+00  0.000000D+00  0.111743D-05  0.110846D+02  0.290535D-01
      5  -0.980267D+00  0.594611D+01 -0.250530D+02 -0.177160D-05  0.127763D+01
      6  -0.212636D+02  0.749947D+01  0.858844D+01 -0.164549D-05 -0.724930D+01
                11            12            13            14            15 
      1  -0.547814D+01  0.563386D+01 -0.515745D+01  0.791054D+01  0.140319D+02
      2   0.111999D+02 -0.156790D+01  0.216590D+01  0.192287D+00 -0.783154D+00
      3  -0.572173D+01 -0.406595D+01  0.299155D+01 -0.810283D+01 -0.132488D+02
      4  -0.649086D+01 -0.299206D+01  0.162143D+02  0.606026D-01  0.811920D+01
      5  -0.125142D+02 -0.164319D+01  0.926852D+01 -0.143996D+02  0.216822D+01
      6   0.351248D+02 -0.467154D+01  0.348780D+01 -0.823245D+00 -0.522846D+02
                16            17            18            19            20 
      1   0.469261D+00  0.448556D+02 -0.165474D+02  0.204716D+01  0.174796D+01
      2   0.542519D+01 -0.968084D+02 -0.372494D+02 -0.467606D+01  0.447438D+01
      3  -0.589445D+01  0.519527D+02  0.537968D+02  0.262890D+01 -0.622234D+01
      4   0.232079D+01  0.493573D+01 -0.727897D+00  0.294760D+01 -0.589862D+01
      5  -0.628090D+01  0.176674D+01 -0.258482D+01  0.128626D+01  0.134645D+02
      6  -0.101262D+01 -0.121108D+03  0.830765D+02 -0.113952D+02 -0.253592D+02
                21            22            23            24            25 
      1  -0.320731D+01 -0.110671D+02  0.729541D+02  0.100706D+03 -0.701061D+01
      2   0.733424D+01  0.124584D+02 -0.690967D+02 -0.984939D+02  0.100365D+02
      3  -0.412693D+01 -0.139134D+01 -0.385748D+01 -0.221168D+01 -0.302593D+01
      4   0.121426D+00  0.119585D+02  0.190860D+02  0.241935D+02  0.483094D+01
      5   0.136778D+02  0.224447D+02 -0.746322D+01  0.117584D+02  0.159674D+02
      6  -0.202439D+02  0.382128D+02 -0.249916D+03 -0.373907D+03  0.143169D+02
                26            27            28            29            30 
      1  -0.135021D+01  0.272961D+02  0.204716D+01  0.174796D+01  0.320731D+01
      2  -0.179218D+02 -0.656083D+02 -0.467607D+01  0.447438D+01 -0.733424D+01
      3   0.192721D+02  0.383122D+02  0.262890D+01 -0.622235D+01  0.412693D+01
      4   0.141572D+01 -0.540871D+00  0.294761D+01 -0.589862D+01 -0.121427D+00
      5   0.166474D+02 -0.767712D+01 -0.128626D+01 -0.134645D+02  0.136778D+02
      6  -0.527392D+02 -0.954481D+02  0.113952D+02  0.253592D+02 -0.202439D+02
                31            32            33            34            35 
      1  -0.110671D+02  0.729541D+02 -0.100706D+03  0.701061D+01  0.135021D+01
      2   0.124584D+02 -0.690967D+02  0.984939D+02 -0.100365D+02  0.179218D+02
      3  -0.139134D+01 -0.385748D+01  0.221168D+01  0.302594D+01 -0.192721D+02
      4   0.119585D+02  0.190860D+02 -0.241935D+02 -0.483094D+01 -0.141573D+01
      5  -0.224447D+02  0.746322D+01  0.117584D+02  0.159674D+02  0.166474D+02
      6  -0.382128D+02  0.249916D+03 -0.373907D+03  0.143169D+02 -0.527392D+02
                36            37            38            39            40 
      1   0.272961D+02  0.112762D+01 -0.547814D+01 -0.563386D+01 -0.515745D+01
      2  -0.656083D+02 -0.591799D+01  0.111999D+02  0.156790D+01  0.216591D+01
      3   0.383122D+02  0.479037D+01 -0.572173D+01  0.406595D+01  0.299155D+01
      4  -0.540872D+00  0.290532D-01 -0.649086D+01  0.299206D+01  0.162143D+02
      5   0.767712D+01 -0.127762D+01  0.125142D+02 -0.164319D+01 -0.926852D+01
      6   0.954481D+02  0.724931D+01 -0.351248D+02 -0.467154D+01 -0.348780D+01
                41            42            43            44            45 
      1   0.791054D+01 -0.140319D+02 -0.469261D+00 -0.448556D+02 -0.165474D+02
      2   0.192286D+00  0.783154D+00 -0.542519D+01  0.968084D+02 -0.372494D+02
      3  -0.810283D+01  0.132488D+02  0.589445D+01 -0.519527D+02  0.537968D+02
      4   0.606019D-01 -0.811920D+01 -0.232079D+01 -0.493573D+01 -0.727897D+00
      5   0.143996D+02  0.216822D+01 -0.628090D+01  0.176674D+01  0.258482D+01
      6   0.823244D+00 -0.522846D+02 -0.101262D+01 -0.121108D+03 -0.830765D+02
                46            47            48            49            50 
      1   0.591282D+01  0.557407D+01 -0.887387D+01  0.448824D+01 -0.333803D+02
      2  -0.260209D+02 -0.146460D+02 -0.538190D+01 -0.143411D+02  0.119343D+03
      3   0.201081D+02  0.907192D+01  0.142558D+02  0.985287D+01 -0.859630D+02
      4  -0.157145D+01  0.805202D+01  0.316729D+02 -0.167183D+02 -0.530759D+01
      5  -0.616661D+01  0.181295D+02  0.624275D+02 -0.285738D+02 -0.772460D+01
      6   0.307478D+02 -0.175977D+02  0.125457D+02  0.410601D+01  0.735252D+02
                51            52            53            54            55 
      1   0.135091D+02  0.245677D+00 -0.425875D+02  0.312680D+01  0.109412D+01
      2   0.114786D+03 -0.489233D+01  0.739365D+02  0.495407D+01 -0.557566D+00
      3  -0.128295D+03  0.464665D+01 -0.313491D+02 -0.808087D+01 -0.536553D+00
      4   0.447654D+01  0.186714D+01 -0.296645D+01  0.455626D+01  0.541979D+00
      5   0.923353D+01  0.142664D+02 -0.861827D+01  0.358416D+01  0.886881D+00
      6  -0.156548D+03  0.400188D+00  0.103047D+03 -0.403945D+02 -0.586232D+01
                56            57            58            59            60 
      1  -0.664265D-01  0.219929D+01 -0.196439D+00 -0.211800D+01  0.456104D+01
      2   0.256159D-01  0.173967D+01 -0.130522D+01 -0.991929D+01  0.194760D+02
      3   0.408106D-01 -0.393896D+01  0.150166D+01  0.120373D+02 -0.240370D+02
      4  -0.704958D+00 -0.421470D+01  0.153076D+01  0.561893D+00 -0.102046D+01
      5  -0.353464D+01 -0.660922D+01 -0.184145D+01 -0.804596D+00  0.165332D+01
      6   0.544213D+00 -0.482591D+00 -0.757683D+00 -0.167286D+01  0.395247D+01
                61            62            63            64            65 
      1   0.434749D+00  0.811955D+00 -0.177907D+02 -0.371836D+01 -0.499658D+01
      2   0.274066D+01  0.977047D+01 -0.417626D+02 -0.664351D+01 -0.120466D+01
      3  -0.317541D+01 -0.105824D+02  0.595533D+02  0.103619D+02  0.620124D+01
      4   0.286440D+00 -0.537164D+00  0.192523D+00 -0.911308D+01  0.372768D+02
      5   0.643949D+01  0.103633D+00 -0.487788D+01 -0.101361D+02  0.324226D+02
      6  -0.112082D+01  0.862166D+01  0.654193D+01  0.533784D+02  0.246709D+01
                66            67            68            69            70 
      1  -0.833519D+01 -0.640451D+00  0.177236D+02 -0.312213D+02 -0.660194D+01
      2   0.464309D+01  0.885112D+01 -0.100860D+03 -0.683166D+02 -0.448781D+01
      3   0.369210D+01 -0.821067D+01  0.831361D+02  0.995379D+02  0.110897D+02
      4   0.416115D+02  0.685018D+01  0.314051D+01 -0.409795D+01  0.404998D+02
      5   0.529076D+02  0.120151D+02  0.399499D+01 -0.591583D+01  0.351956D+02
      6   0.193244D+01 -0.744929D+01 -0.181861D+02  0.192183D+03  0.642038D+01
                71            72            73            74            75 
      1  -0.324085D+02  0.725756D+01  0.902477D+00  0.399370D+01  0.600554D+01
      2   0.123791D+03  0.362804D+02  0.591845D+00  0.237595D+00 -0.545875D+00
      3  -0.913822D+02 -0.435380D+02 -0.149432D+01 -0.423129D+01 -0.545966D+01
      4  -0.255417D+01  0.629655D+01  0.308699D+00 -0.187446D+01 -0.497920D+01
      5  -0.101877D+01  0.748753D+01  0.253870D+00 -0.346431D+01 -0.533349D+01
      6   0.769679D+02 -0.539738D+02 -0.545723D+01 -0.697261D+01 -0.983840D+01
                76            77            78            79            80 
      1   0.253383D+01 -0.321902D+02 -0.310684D+02  0.402250D+01 -0.392446D+02
      2  -0.134066D+01  0.204042D+02  0.152063D+02  0.905650D+00  0.421811D+01
      3  -0.119317D+01  0.117861D+02  0.158620D+02 -0.492815D+01  0.350264D+02
      4   0.526701D+01 -0.503322D+01 -0.472028D+01  0.535403D+01 -0.532055D+01
      5   0.366168D+01 -0.525200D+01 -0.508655D+01  0.825361D+01 -0.711145D+01
      6  -0.601007D+01  0.601036D+02  0.581296D+02 -0.940296D+01  0.759665D+02
                81            82            83            84            85 
      1  -0.574356D+02 -0.316464D+01 -0.730187D+01  0.297474D+01  0.149360D+01
      2  -0.108345D+02  0.381435D+02  0.877207D+01  0.124570D+01 -0.959872D+00
      3   0.682701D+02 -0.349789D+02 -0.147020D+01 -0.422044D+01 -0.533731D+00
      4  -0.735303D+01 -0.711038D+01  0.785037D+02  0.248482D+02  0.356547D+02
      5  -0.112951D+02 -0.265905D+00  0.300253D+02  0.818240D+01  0.107737D+02
      6   0.108043D+03  0.334861D+02  0.399995D+00 -0.134600D+02 -0.104433D+02
                86            87            88            89            90 
      1  -0.314557D+02 -0.500002D+02  0.913183D+01 -0.140133D+01 -0.433682D+02
      2   0.520114D+02  0.440205D+02  0.145473D+01 -0.616810D+02  0.147403D+02
      3  -0.205557D+02  0.597976D+01 -0.105866D+02  0.630823D+02  0.286279D+02
      4  -0.309204D+01 -0.655545D+01 -0.266531D+02  0.133643D+01 -0.908579D+01
      5  -0.268366D+01 -0.601173D+01 -0.324279D+02  0.244446D+00 -0.864815D+01
      6   0.120365D+03  0.148547D+03 -0.139376D+02  0.345052D+02  0.174972D+03
                91            92            93            94            95 
      1   0.786684D+00  0.334323D+01  0.681108D+00  0.172108D+01 -0.576603D+02
      2  -0.348948D+01 -0.594384D+01 -0.138354D+01 -0.624780D+01  0.148832D+03
      3   0.270280D+01  0.260061D+01  0.702430D+00  0.452672D+01 -0.911717D+02
      4   0.474765D+00 -0.818574D+01 -0.393304D+01  0.954307D+01 -0.910303D+01
      5   0.130474D+00 -0.278426D+01 -0.290258D+00  0.147190D+01 -0.885237D+00
      6  -0.408213D+01 -0.493441D+01 -0.112982D+01 -0.116117D+01  0.345190D+02
                96            97            98            99           100 
      1  -0.163972D+01 -0.705229D-01  0.808373D+01 -0.515053D+01  0.150196D+02
      2   0.574631D+01  0.710006D+00 -0.334912D+02  0.703014D+01  0.472434D+01
      3  -0.410659D+01 -0.639483D+00  0.254074D+02 -0.187961D+01 -0.197440D+02
      4  -0.181516D-01 -0.190908D+01  0.235413D+00 -0.105778D+01  0.187214D+01
      5  -0.771754D-01  0.138045D+01 -0.122626D+01 -0.383511D+00 -0.100807D+01
      6   0.140962D+01 -0.110949D+01  0.108993D+02  0.616827D+01 -0.130741D+02
               101           102           103           104           105 
      1  -0.463865D+01 -0.101561D+02 -0.180095D+01  0.337666D+02  0.323797D+02
      2   0.532926D+01  0.974012D+01  0.611434D+01 -0.617065D+02 -0.709403D+02
      3  -0.690604D+00  0.415955D+00 -0.431339D+01  0.279399D+02  0.385607D+02
      4   0.122456D+02 -0.132471D+02 -0.160311D+02  0.945058D+01  0.423266D+01
      5   0.528619D+01  0.420973D+01  0.105902D+01  0.448690D+01  0.380485D+01
      6  -0.177721D+00  0.240492D+02  0.973474D+01 -0.119276D+03 -0.912415D+02
               106           107           108           109           110 
      1  -0.676536D+01  0.332240D+02  0.342987D+02  0.142201D+02  0.254746D+00
      2   0.722127D+01 -0.448878D+02 -0.545524D+02  0.482044D+01 -0.150117D+01
      3  -0.455903D+00  0.116638D+02  0.202538D+02 -0.190405D+02  0.124643D+01
      4   0.125910D+02  0.871109D+01  0.640353D+01  0.382215D+01  0.111000D+02
      5   0.257454D+02  0.241449D+01  0.693630D+01  0.253575D+01 -0.933119D+01
      6   0.137679D+02 -0.121452D+03 -0.179990D+03 -0.184479D+02  0.698518D+01
               111           112           113           114           115 
      1  -0.337139D+01  0.883138D+01 -0.591298D+02 -0.967885D+02  0.237835D+01
      2   0.745656D+00 -0.962039D+01  0.566875D+02  0.108346D+03 -0.262439D+01
      3   0.262573D+01  0.789008D+00  0.244233D+01 -0.115571D+02  0.246046D+00
      4  -0.235101D+02 -0.938566D+01 -0.174656D+02 -0.159404D+02 -0.309638D+02
      5  -0.270515D+01 -0.158003D+02 -0.104825D+02 -0.153514D+02 -0.234417D+02
      6   0.929933D+01 -0.321366D+02  0.275165D+03  0.347919D+03 -0.353984D+01
               116           117           118           119           120 
      1  -0.198226D+02  0.226663D+01 -0.828048D+00  0.402985D+00  0.473012D+01
      2   0.150852D+02  0.317075D+02  0.205511D+01  0.263755D+01 -0.300912D+01
      3   0.473743D+01 -0.339741D+02 -0.122706D+01 -0.304054D+01 -0.172099D+01
      4  -0.261023D+01  0.668278D-01  0.104036D+01  0.604308D+01 -0.218027D+01
      5  -0.268891D+00 -0.101612D+01 -0.200033D+00 -0.432359D+01  0.176414D+01
      6   0.423916D+02  0.690824D+02 -0.190011D+01  0.722677D+01 -0.556765D+01
               121           122           123           124           125 
      1  -0.318140D+00 -0.124492D+02  0.114021D+02  0.497905D+00  0.496055D+01
      2   0.137323D+01  0.403462D+02 -0.284232D+02 -0.938139D+00 -0.152708D+02
      3  -0.105509D+01 -0.278969D+02  0.170211D+02  0.440234D+00  0.103102D+02
      4   0.717800D+01  0.301194D+01 -0.575508D+00 -0.289020D+01 -0.255756D+01
      5  -0.303596D+01 -0.120385D+01 -0.136539D+00  0.237620D+01 -0.645654D+00
      6  -0.485668D+00 -0.356994D+02  0.285316D+02 -0.904343D+00  0.360883D+02
               126           127           128           129           130 
      1  -0.145410D+02 -0.194332D+02  0.147656D+02  0.442165D+02  0.640577D+01
      2   0.152014D+02  0.181973D+02 -0.254686D+02 -0.437833D+02 -0.511016D+01
      3  -0.660394D+00  0.123589D+01  0.107030D+02 -0.433128D+00 -0.129561D+01
      4   0.999777D+00 -0.113710D+02  0.682247D+01  0.688574D+01  0.165167D+01
      5  -0.932694D+00  0.341219D+02 -0.178548D+02 -0.165478D+02 -0.123798D+02
      6  -0.929194D+01  0.131440D+02 -0.189585D+02 -0.363073D+02 -0.118630D+02
               131           132           133           134           135 
      1   0.204917D+01 -0.239521D+02  0.105281D+02 -0.157338D+02 -0.187153D+02
      2   0.672437D+01  0.132971D+02 -0.896514D+01  0.927882D+01  0.527330D+02
      3  -0.877353D+01  0.106550D+02 -0.156295D+01  0.645499D+01 -0.340176D+02
      4   0.585985D-01 -0.646432D+01 -0.204778D+01 -0.436293D+01 -0.605247D+01
      5  -0.463594D+01  0.671226D+01 -0.140373D+02  0.601198D+01  0.349373D+01
      6   0.164970D+02  0.250751D+02 -0.170904D+02  0.328658D+02  0.108312D+03
               136           137           138           139           140 
      1   0.400030D+02 -0.123762D+02 -0.244645D+02 -0.353569D+01  0.434019D+01
      2  -0.270207D+02  0.159790D+02  0.375250D+02  0.306162D+01 -0.305591D+01
      3  -0.129824D+02 -0.360275D+01 -0.130605D+02  0.474076D+00 -0.128428D+01
      4   0.950498D+01  0.166158D-01 -0.793504D+01  0.574074D+01 -0.151897D+00
      5  -0.319852D+02  0.932055D+01  0.253913D+02  0.406745D+01 -0.359813D+01
      6  -0.148352D+02 -0.181558D+00  0.420246D+02 -0.219140D+01 -0.240508D+01
               141           142           143           144           145 
      1   0.362674D+01  0.768148D+00 -0.138299D+01  0.390124D+01 -0.772668D+01
      2  -0.150450D+01  0.491031D+01  0.139517D+01 -0.126275D+02 -0.573849D+01
      3  -0.212224D+01 -0.567845D+01 -0.121774D-01  0.872628D+01  0.134652D+02
      4  -0.217315D+01  0.695954D+00  0.915006D+00  0.244447D+01  0.189197D+02
      5  -0.229928D+01  0.904170D+01 -0.112272D+01 -0.676678D+01 -0.422192D+02
      6   0.957499D+01  0.374390D+01 -0.562443D+01 -0.232684D+02  0.144922D+02
               146           147           148           149           150 
      1   0.417842D+01 -0.143438D+02  0.476425D+01  0.494978D+01  0.105216D+02
      2  -0.737152D+01 -0.327253D+01 -0.101597D+02 -0.184190D+02  0.340819D+02
      3   0.319310D+01  0.176163D+02  0.539548D+01  0.134692D+02 -0.446035D+02
      4  -0.879217D+01  0.317616D+01 -0.492594D+01 -0.125638D+02  0.848425D+00
      5   0.129982D+02 -0.125521D+01  0.104316D+02  0.145363D+02 -0.122022D+01
      6   0.140496D+02  0.805811D+00  0.101601D+02  0.410641D+02  0.484793D+01
               151           152           153           154           155 
      1  -0.287535D+01  0.942420D+01 -0.201550D+01  0.131723D+01 -0.291123D+01
      2  -0.447883D+01  0.151533D+02 -0.429403D+01  0.502192D+01  0.106055D+02
      3   0.735418D+01 -0.245775D+02  0.630954D+01 -0.633916D+01 -0.769427D+01
      4  -0.201376D+00  0.886215D+00 -0.542224D+01  0.540851D+01  0.114610D+02
      5   0.267259D+01 -0.206844D+01  0.124850D+02 -0.377191D+01 -0.115341D+02
      6  -0.291121D+01  0.207063D+01 -0.445818D+02 -0.120389D+02 -0.185167D+02
               156           157           158           159           160 
      1   0.584951D+01 -0.308036D+01 -0.160933D+02  0.937144D+01  0.226751D+01
      2   0.388970D+01  0.806298D+01  0.375822D+02 -0.446862D+01  0.221996D+01
      3  -0.973921D+01 -0.498262D+01 -0.214889D+02 -0.490281D+01 -0.448748D+01
      4  -0.410928D+01  0.918465D+01  0.117995D+02 -0.307153D+01 -0.836855D+00
      5   0.541140D+01 -0.890231D+01 -0.115142D+02  0.359565D+01  0.210744D+01
      6   0.860099D+01 -0.109837D+02 -0.544953D+02  0.203088D+02  0.309479D+01
               161           162           163           164           165 
      1   0.442134D+01 -0.537978D+01  0.208510D+02 -0.305438D+01 -0.356287D+01
      2   0.339450D+00  0.210104D+01 -0.537606D+01 -0.289452D+01 -0.107635D+02
      3  -0.476079D+01  0.327874D+01 -0.154750D+02  0.594890D+01  0.143264D+02
      4  -0.880341D+00  0.381118D+01 -0.243470D+02  0.107838D+02 -0.585621D+01
      5   0.176079D+01 -0.582370D+01  0.436771D+02 -0.123170D+02  0.138811D+02
      6   0.120565D+02 -0.624993D+01 -0.166356D+02  0.118401D+02 -0.124019D+02
               166           167           168           169           170 
      1  -0.141964D+01  0.134099D+01 -0.375596D+00 -0.339709D+01 -0.856201D+00
      2  -0.167852D+01  0.427401D+01 -0.537713D+01 -0.335174D+01  0.500532D+00
      3   0.309816D+01 -0.561500D+01  0.575273D+01  0.674883D+01  0.355669D+00
      4   0.707003D+01 -0.411303D+01  0.234217D+01  0.245208D+00 -0.105869D+00
      5  -0.538904D+01  0.620101D+01 -0.309345D+01  0.520924D+01 -0.100246D+01
      6   0.659813D+01 -0.848480D+01  0.252008D+01 -0.299049D+01  0.116476D+01
               171           172           173           174           175 
      1   0.136862D+01 -0.820676D+01 -0.628606D+01  0.245577D+02 -0.313621D+01
      2  -0.157459D+01  0.164606D+02 -0.134419D+01  0.172191D+02 -0.263298D+00
      3   0.205972D+00 -0.825387D+01  0.763025D+01 -0.417767D+02  0.339950D+01
      4  -0.333021D+01 -0.888387D+01  0.701111D+00  0.379173D+01 -0.179078D+00
      5   0.660690D+01  0.653763D+02  0.475922D+01 -0.174678D+02 -0.368081D+01
      6   0.438150D+01  0.555597D+01 -0.185424D+02  0.153945D+02 -0.164584D+02
               176           177           178           179           180 
      1   0.550669D+01 -0.324291D+02  0.106514D+02 -0.242746D+02  0.232327D+02
      2   0.438917D+01 -0.386616D+02  0.105328D+02 -0.296016D+02  0.919807D+01
      3  -0.989586D+01  0.710907D+02 -0.211841D+02  0.538762D+02 -0.324308D+02
      4   0.363069D+01 -0.323015D+01  0.641552D+00 -0.111864D+01  0.506647D+01
      5  -0.172277D+02  0.569182D+01 -0.610695D+01  0.390673D+01 -0.252283D+02
      6  -0.154531D+02 -0.214898D+02  0.737744D+01 -0.147468D+02  0.599033D+02
               181           182           183           184           185 
      1   0.191503D+02  0.167585D+01  0.208500D+01 -0.173569D+00  0.830151D+00
      2  -0.266829D+02  0.466206D+00  0.211646D+02  0.157231D+01 -0.217775D+01
      3   0.753266D+01 -0.214206D+01 -0.232496D+02 -0.139874D+01  0.134760D+01
      4   0.121486D+02  0.530451D+01 -0.556348D+01  0.591318D+01  0.153540D+01
      5  -0.744314D+02 -0.843077D+01  0.353716D+02  0.232511D+01 -0.670080D+01
      6  -0.948648D+01 -0.122008D+02  0.527242D+01 -0.703326D+01  0.108078D+01
               186           187           188           189           190 
      1   0.379837D+01  0.320899D+01  0.378039D+01 -0.308003D+01 -0.474311D+01
      2   0.210208D+01  0.756158D+01  0.387469D+01 -0.883779D+01 -0.100503D+02
      3  -0.590045D+01 -0.107706D+02 -0.765508D+01  0.119178D+02  0.147934D+02
      4  -0.173186D+01 -0.256900D+00 -0.358876D+00  0.111718D+01 -0.177318D+01
      5  -0.171721D+00  0.110383D+02  0.491272D+00 -0.136654D+02  0.421894D+01
      6   0.824294D+01  0.156677D+01  0.453844D+01 -0.831844D+01 -0.991924D+01
               191           192           193           194           195 
      1   0.518722D+01 -0.164991D+02  0.281079D+01 -0.182568D+02  0.294715D+02
      2   0.333899D+01 -0.194117D+02  0.783027D+00 -0.795670D+01  0.230033D+02
      3  -0.852622D+01  0.359109D+02 -0.359381D+01  0.262135D+02 -0.524748D+02
      4   0.322314D+01 -0.538781D+01  0.320116D+01 -0.179286D+01  0.150127D+01
      5  -0.845694D+01  0.230873D+02 -0.655551D+01  0.708446D+01 -0.476405D+01
      6   0.131636D+02 -0.177187D+02  0.744729D+01 -0.312205D+02  0.469617D+02
               196           197           198           199           200 
      1  -0.683487D+01  0.208450D+02 -0.622629D+02 -0.820676D+01 -0.628606D+01
      2  -0.655094D+01  0.175115D+02 -0.638927D+02  0.164606D+02 -0.134419D+01
      3   0.133858D+02 -0.383565D+02  0.126156D+03 -0.825387D+01  0.763025D+01
      4  -0.276653D+01  0.990217D+00 -0.292677D+01 -0.888387D+01  0.701111D+00
      5   0.142238D+02 -0.332573D+01  0.152867D+02 -0.653763D+02 -0.475922D+01
      6  -0.600588D+01  0.339689D+02 -0.645641D+02 -0.555597D+01  0.185424D+02
               201           202           203           204           205 
      1  -0.245577D+02 -0.313621D+01  0.550669D+01  0.324291D+02 -0.106514D+02
      2  -0.172191D+02 -0.263298D+00  0.438917D+01  0.386616D+02 -0.105328D+02
      3   0.417767D+02  0.339950D+01 -0.989586D+01 -0.710907D+02  0.211841D+02
      4  -0.379173D+01 -0.179077D+00  0.363069D+01  0.323015D+01 -0.641552D+00
      5  -0.174678D+02  0.368081D+01  0.172277D+02  0.569182D+01 -0.610695D+01
      6   0.153945D+02  0.164584D+02  0.154531D+02 -0.214898D+02  0.737744D+01
               206           207           208           209           210 
      1   0.242746D+02  0.232327D+02 -0.474311D+01  0.518722D+01  0.164991D+02
      2   0.296016D+02  0.919807D+01 -0.100503D+02  0.333899D+01  0.194117D+02
      3  -0.538762D+02 -0.324308D+02  0.147934D+02 -0.852622D+01 -0.359109D+02
      4   0.111864D+01  0.506647D+01 -0.177318D+01  0.322314D+01  0.538781D+01
      5   0.390673D+01  0.252283D+02 -0.421894D+01  0.845694D+01  0.230873D+02
      6  -0.147468D+02 -0.599033D+02  0.991924D+01 -0.131636D+02 -0.177187D+02
               211           212           213           214           215 
      1   0.281079D+01 -0.182568D+02 -0.294715D+02  0.683487D+01 -0.208450D+02
      2   0.783027D+00 -0.795670D+01 -0.230033D+02  0.655094D+01 -0.175115D+02
      3  -0.359381D+01  0.262135D+02  0.524748D+02 -0.133858D+02  0.383565D+02
      4   0.320116D+01 -0.179286D+01 -0.150127D+01  0.276653D+01 -0.990217D+00
      5   0.655551D+01 -0.708446D+01 -0.476405D+01  0.142238D+02 -0.332573D+01
      6  -0.744729D+01  0.312205D+02  0.469617D+02 -0.600588D+01  0.339689D+02
               216           217           218           219           220 
      1  -0.622629D+02  0.191503D+02  0.167585D+01 -0.208500D+01 -0.173569D+00
      2  -0.638927D+02 -0.266829D+02  0.466205D+00 -0.211646D+02  0.157231D+01
      3   0.126156D+03  0.753266D+01 -0.214206D+01  0.232496D+02 -0.139874D+01
      4  -0.292677D+01  0.121486D+02  0.530451D+01  0.556348D+01  0.591318D+01
      5  -0.152867D+02  0.744314D+02  0.843077D+01  0.353716D+02 -0.232511D+01
      6   0.645641D+02  0.948648D+01  0.122008D+02  0.527243D+01  0.703326D+01
               221           222           223           224           225 
      1   0.830151D+00 -0.379837D+01 -0.320899D+01 -0.378039D+01 -0.308003D+01
      2  -0.217775D+01 -0.210208D+01 -0.756158D+01 -0.387469D+01 -0.883779D+01
      3   0.134760D+01  0.590045D+01  0.107706D+02  0.765508D+01  0.119178D+02
      4   0.153540D+01  0.173186D+01  0.256900D+00  0.358876D+00  0.111718D+01
      5   0.670080D+01 -0.171721D+00  0.110383D+02  0.491272D+00  0.136654D+02
      6  -0.108078D+01  0.824294D+01  0.156677D+01  0.453844D+01  0.831844D+01
               226           227           228           229           230 
      1  -0.772668D+01  0.417842D+01  0.143438D+02  0.476425D+01  0.494978D+01
      2  -0.573849D+01 -0.737152D+01  0.327253D+01 -0.101597D+02 -0.184190D+02
      3   0.134652D+02  0.319309D+01 -0.176163D+02  0.539548D+01  0.134692D+02
      4   0.189197D+02 -0.879217D+01 -0.317616D+01 -0.492594D+01 -0.125638D+02
      5   0.422192D+02 -0.129982D+02 -0.125521D+01 -0.104316D+02 -0.145363D+02
      6  -0.144922D+02 -0.140496D+02  0.805811D+00 -0.101601D+02 -0.410640D+02
               231           232           233           234           235 
      1  -0.105216D+02  0.287535D+01 -0.942420D+01 -0.201550D+01  0.208510D+02
      2  -0.340819D+02  0.447883D+01 -0.151533D+02 -0.429403D+01 -0.537606D+01
      3   0.446035D+02 -0.735418D+01  0.245775D+02  0.630953D+01 -0.154750D+02
      4  -0.848425D+00  0.201376D+00 -0.886215D+00 -0.542224D+01 -0.243470D+02
      5  -0.122022D+01  0.267259D+01 -0.206844D+01 -0.124850D+02 -0.436771D+02
      6   0.484793D+01 -0.291121D+01  0.207063D+01  0.445818D+02  0.166356D+02
               236           237           238           239           240 
      1  -0.305438D+01  0.356287D+01 -0.141964D+01  0.134099D+01  0.375596D+00
      2  -0.289452D+01  0.107635D+02 -0.167852D+01  0.427401D+01  0.537713D+01
      3   0.594890D+01 -0.143264D+02  0.309816D+01 -0.561500D+01 -0.575273D+01
      4   0.107838D+02  0.585621D+01  0.707003D+01 -0.411303D+01 -0.234217D+01
      5   0.123170D+02  0.138811D+02  0.538904D+01 -0.620101D+01 -0.309345D+01
      6  -0.118401D+02 -0.124019D+02 -0.659813D+01  0.848480D+01  0.252008D+01
               241           242           243           244           245 
      1   0.339709D+01  0.856201D+00  0.136862D+01  0.131723D+01 -0.291123D+01
      2   0.335174D+01 -0.500532D+00 -0.157459D+01  0.502192D+01  0.106055D+02
      3  -0.674883D+01 -0.355669D+00  0.205971D+00 -0.633916D+01 -0.769427D+01
      4  -0.245208D+00  0.105869D+00 -0.333021D+01  0.540851D+01  0.114610D+02
      5   0.520924D+01 -0.100246D+01 -0.660690D+01  0.377191D+01  0.115341D+02
      6  -0.299049D+01  0.116476D+01 -0.438150D+01  0.120389D+02  0.185167D+02
               246           247           248           249           250 
      1  -0.584951D+01 -0.308036D+01 -0.160933D+02 -0.937144D+01 -0.226751D+01
      2  -0.388970D+01  0.806298D+01  0.375822D+02  0.446862D+01 -0.221996D+01
      3   0.973921D+01 -0.498262D+01 -0.214889D+02  0.490281D+01  0.448748D+01
      4   0.410928D+01  0.918465D+01  0.117995D+02  0.307153D+01  0.836855D+00
      5   0.541140D+01  0.890231D+01  0.115142D+02  0.359565D+01  0.210744D+01
      6   0.860099D+01  0.109837D+02  0.544953D+02  0.203088D+02  0.309479D+01
               251           252           253           254           255 
      1  -0.442134D+01 -0.537978D+01 -0.194332D+02  0.147656D+02 -0.442165D+02
      2  -0.339450D+00  0.210104D+01  0.181973D+02 -0.254686D+02  0.437833D+02
      3   0.476079D+01  0.327874D+01  0.123589D+01  0.107030D+02  0.433124D+00
      4   0.880341D+00  0.381118D+01 -0.113710D+02  0.682246D+01 -0.688574D+01
      5   0.176079D+01  0.582370D+01 -0.341219D+02  0.178548D+02 -0.165478D+02
      6   0.120565D+02  0.624993D+01 -0.131440D+02  0.189585D+02 -0.363073D+02
               256           257           258           259           260 
      1   0.640577D+01  0.204917D+01  0.239521D+02 -0.105281D+02  0.157338D+02
      2  -0.511016D+01  0.672436D+01 -0.132971D+02  0.896514D+01 -0.927881D+01
      3  -0.129561D+01 -0.877354D+01 -0.106550D+02  0.156295D+01 -0.645500D+01
      4   0.165167D+01  0.585964D-01  0.646431D+01  0.204777D+01  0.436293D+01
      5   0.123798D+02  0.463594D+01  0.671226D+01 -0.140373D+02  0.601197D+01
      6   0.118630D+02 -0.164970D+02  0.250751D+02 -0.170904D+02  0.328658D+02
               261           262           263           264           265 
      1  -0.187153D+02  0.400030D+02 -0.123762D+02  0.244645D+02 -0.353569D+01
      2   0.527330D+02 -0.270207D+02  0.159790D+02 -0.375250D+02  0.306162D+01
      3  -0.340176D+02 -0.129824D+02 -0.360275D+01  0.130605D+02  0.474076D+00
      4  -0.605247D+01  0.950498D+01  0.166149D-01  0.793504D+01  0.574074D+01
      5  -0.349373D+01  0.319852D+02 -0.932055D+01  0.253913D+02 -0.406745D+01
      6  -0.108312D+03  0.148352D+02  0.181559D+00  0.420246D+02  0.219140D+01
               266           267           268           269           270 
      1   0.434019D+01 -0.362674D+01 -0.768148D+00  0.138299D+01  0.390124D+01
      2  -0.305591D+01  0.150450D+01 -0.491031D+01 -0.139517D+01 -0.126275D+02
      3  -0.128428D+01  0.212224D+01  0.567845D+01  0.121773D-01  0.872628D+01
      4  -0.151897D+00  0.217315D+01 -0.695954D+00 -0.915007D+00  0.244447D+01
      5   0.359813D+01 -0.229928D+01  0.904170D+01 -0.112272D+01  0.676678D+01
      6   0.240508D+01  0.957499D+01  0.374390D+01 -0.562443D+01  0.232684D+02
               271           272           273           274           275 
      1   0.142201D+02  0.254742D+00  0.337139D+01  0.883138D+01 -0.591298D+02
      2   0.482044D+01 -0.150117D+01 -0.745661D+00 -0.962039D+01  0.566875D+02
      3  -0.190405D+02  0.124643D+01 -0.262572D+01  0.789009D+00  0.244233D+01
      4   0.382215D+01  0.111000D+02  0.235101D+02 -0.938566D+01 -0.174656D+02
      5  -0.253575D+01  0.933119D+01 -0.270514D+01  0.158003D+02  0.104825D+02
      6   0.184479D+02 -0.698519D+01  0.929933D+01  0.321366D+02 -0.275165D+03
               276           277           278           279           280 
      1   0.967885D+02 -0.237835D+01  0.198226D+02  0.226663D+01 -0.828048D+00
      2  -0.108346D+03  0.262439D+01 -0.150852D+02  0.317075D+02  0.205511D+01
      3   0.115571D+02 -0.246044D+00 -0.473743D+01 -0.339741D+02 -0.122706D+01
      4   0.159404D+02  0.309638D+02  0.261023D+01  0.668271D-01  0.104036D+01
      5  -0.153514D+02 -0.234417D+02 -0.268892D+00  0.101613D+01  0.200033D+00
      6   0.347919D+03 -0.353984D+01  0.423916D+02 -0.690824D+02  0.190011D+01
               281           282           283           284           285 
      1   0.402985D+00 -0.473012D+01 -0.318140D+00 -0.124492D+02 -0.114021D+02
      2   0.263755D+01  0.300912D+01  0.137323D+01  0.403462D+02  0.284232D+02
      3  -0.304054D+01  0.172100D+01 -0.105509D+01 -0.278969D+02 -0.170211D+02
      4   0.604308D+01  0.218027D+01  0.717800D+01  0.301194D+01  0.575507D+00
      5   0.432359D+01  0.176414D+01  0.303596D+01  0.120385D+01 -0.136539D+00
      6  -0.722677D+01 -0.556765D+01  0.485668D+00  0.356994D+02  0.285316D+02
               286           287           288           289           290 
      1  -0.497905D+00 -0.496055D+01 -0.145410D+02  0.150196D+02 -0.463865D+01
      2   0.938139D+00  0.152708D+02  0.152014D+02  0.472434D+01  0.532925D+01
      3  -0.440234D+00 -0.103102D+02 -0.660394D+00 -0.197440D+02 -0.690605D+00
      4   0.289020D+01  0.255756D+01  0.999777D+00  0.187214D+01  0.122456D+02
      5   0.237620D+01 -0.645654D+00  0.932694D+00  0.100807D+01 -0.528618D+01
      6  -0.904343D+00  0.360883D+02  0.929194D+01  0.130741D+02  0.177724D+00
               291           292           293           294           295 
      1   0.101561D+02 -0.180095D+01  0.337666D+02 -0.323797D+02  0.676536D+01
      2  -0.974011D+01  0.611434D+01 -0.617065D+02  0.709403D+02 -0.722126D+01
      3  -0.415962D+00 -0.431339D+01  0.279399D+02 -0.385607D+02  0.455903D+00
      4   0.132471D+02 -0.160311D+02  0.945058D+01 -0.423266D+01 -0.125910D+02
      5   0.420972D+01 -0.105902D+01 -0.448690D+01  0.380485D+01  0.257454D+02
      6   0.240492D+02 -0.973474D+01  0.119276D+03 -0.912415D+02  0.137679D+02
               296           297           298           299           300 
      1  -0.332240D+02  0.342987D+02 -0.316464D+01 -0.730188D+01 -0.297474D+01
      2   0.448878D+02 -0.545524D+02  0.381435D+02  0.877208D+01 -0.124570D+01
      3  -0.116638D+02  0.202538D+02 -0.349789D+02 -0.147020D+01  0.422044D+01
      4  -0.871109D+01  0.640353D+01 -0.711038D+01  0.785037D+02 -0.248482D+02
      5   0.241449D+01 -0.693630D+01  0.265907D+00 -0.300253D+02  0.818240D+01
      6  -0.121452D+03  0.179990D+03 -0.334861D+02 -0.399999D+00 -0.134600D+02
               301           302           303           304           305 
      1   0.149360D+01 -0.314557D+02  0.500002D+02 -0.913183D+01  0.140133D+01
      2  -0.959871D+00  0.520114D+02 -0.440205D+02 -0.145473D+01  0.616810D+02
      3  -0.533732D+00 -0.205557D+02 -0.597976D+01  0.105866D+02 -0.630823D+02
      4   0.356547D+02 -0.309204D+01  0.655544D+01  0.266531D+02 -0.133644D+01
      5  -0.107737D+02  0.268365D+01 -0.601173D+01 -0.324279D+02  0.244447D+00
      6   0.104433D+02 -0.120365D+03  0.148547D+03 -0.139376D+02  0.345052D+02
               306           307           308           309           310 
      1  -0.433682D+02  0.786684D+00  0.334323D+01 -0.681108D+00  0.172108D+01
      2   0.147403D+02 -0.348949D+01 -0.594384D+01  0.138354D+01 -0.624780D+01
      3   0.286279D+02  0.270280D+01  0.260061D+01 -0.702431D+00  0.452672D+01
      4  -0.908579D+01  0.474765D+00 -0.818574D+01  0.393304D+01  0.954307D+01
      5   0.864815D+01 -0.130474D+00  0.278426D+01 -0.290258D+00 -0.147190D+01
      6  -0.174972D+03  0.408213D+01  0.493442D+01 -0.112982D+01  0.116117D+01
               311           312           313           314           315 
      1  -0.576603D+02  0.163972D+01  0.705229D-01 -0.808373D+01 -0.515053D+01
      2   0.148832D+03 -0.574631D+01 -0.710006D+00  0.334912D+02  0.703014D+01
      3  -0.911717D+02  0.410659D+01  0.639483D+00 -0.254074D+02 -0.187961D+01
      4  -0.910303D+01  0.181516D-01  0.190908D+01 -0.235412D+00 -0.105778D+01
      5   0.885237D+00 -0.771754D-01  0.138045D+01 -0.122626D+01  0.383511D+00
      6  -0.345190D+02  0.140962D+01 -0.110949D+01  0.108993D+02 -0.616827D+01
               316           317           318           319           320 
      1  -0.371835D+01 -0.499658D+01  0.833518D+01 -0.640450D+00  0.177236D+02
      2  -0.664352D+01 -0.120466D+01 -0.464309D+01  0.885112D+01 -0.100860D+03
      3   0.103619D+02  0.620124D+01 -0.369209D+01 -0.821067D+01  0.831361D+02
      4  -0.911308D+01  0.372768D+02 -0.416115D+02  0.685018D+01  0.314051D+01
      5   0.101361D+02 -0.324225D+02  0.529076D+02 -0.120151D+02 -0.399499D+01
      6  -0.533784D+02 -0.246709D+01  0.193244D+01  0.744929D+01  0.181861D+02
               321           322           323           324           325 
      1   0.312213D+02  0.660194D+01  0.324085D+02  0.725755D+01  0.902476D+00
      2   0.683166D+02  0.448781D+01 -0.123791D+03  0.362804D+02  0.591845D+00
      3  -0.995379D+02 -0.110897D+02  0.913822D+02 -0.435380D+02 -0.149432D+01
      4   0.409795D+01 -0.404998D+02  0.255417D+01  0.629655D+01  0.308699D+00
      5  -0.591583D+01  0.351956D+02 -0.101877D+01 -0.748753D+01 -0.253870D+00
      6   0.192183D+03  0.642038D+01  0.769679D+02  0.539738D+02  0.545723D+01
               326           327           328           329           330 
      1   0.399370D+01 -0.600554D+01  0.253383D+01 -0.321902D+02  0.310684D+02
      2   0.237595D+00  0.545875D+00 -0.134066D+01  0.204042D+02 -0.152063D+02
      3  -0.423129D+01  0.545966D+01 -0.119317D+01  0.117861D+02 -0.158620D+02
      4  -0.187446D+01  0.497920D+01  0.526701D+01 -0.503322D+01  0.472028D+01
      5   0.346431D+01 -0.533349D+01 -0.366168D+01  0.525200D+01 -0.508655D+01
      6   0.697261D+01 -0.983840D+01  0.601007D+01 -0.601036D+02  0.581296D+02
               331           332           333           334           335 
      1  -0.402250D+01  0.392446D+02 -0.574356D+02  0.591281D+01  0.557407D+01
      2  -0.905650D+00 -0.421811D+01 -0.108345D+02 -0.260209D+02 -0.146460D+02
      3   0.492815D+01 -0.350264D+02  0.682701D+02  0.201081D+02  0.907192D+01
      4  -0.535403D+01  0.532055D+01 -0.735303D+01 -0.157145D+01  0.805203D+01
      5   0.825361D+01 -0.711145D+01  0.112951D+02  0.616662D+01 -0.181295D+02
      6  -0.940296D+01  0.759665D+02 -0.108043D+03 -0.307478D+02  0.175977D+02
               336           337           338           339           340 
      1   0.887387D+01  0.448823D+01 -0.333802D+02 -0.135091D+02 -0.245676D+00
      2   0.538190D+01 -0.143411D+02  0.119343D+03 -0.114786D+03  0.489233D+01
      3  -0.142558D+02  0.985287D+01 -0.859630D+02  0.128295D+03 -0.464665D+01
      4  -0.316730D+02 -0.167183D+02 -0.530759D+01 -0.447654D+01 -0.186714D+01
      5   0.624275D+02  0.285738D+02  0.772460D+01  0.923353D+01  0.142664D+02
      6   0.125457D+02 -0.410601D+01 -0.735252D+02 -0.156548D+03  0.400190D+00
               341           342           343           344           345 
      1   0.425875D+02  0.312680D+01  0.109412D+01 -0.664268D-01 -0.219929D+01
      2  -0.739365D+02  0.495407D+01 -0.557567D+00  0.256156D-01 -0.173967D+01
      3   0.313491D+02 -0.808087D+01 -0.536553D+00  0.408112D-01  0.393896D+01
      4   0.296645D+01  0.455626D+01  0.541979D+00 -0.704958D+00  0.421470D+01
      5  -0.861827D+01 -0.358416D+01 -0.886881D+00  0.353464D+01 -0.660922D+01
      6   0.103047D+03  0.403945D+02  0.586232D+01 -0.544214D+00 -0.482590D+00
               346           347           348           349           350 
      1  -0.196440D+00 -0.211800D+01 -0.456104D+01 -0.434749D+00 -0.811955D+00
      2  -0.130522D+01 -0.991929D+01 -0.194760D+02 -0.274066D+01 -0.977047D+01
      3   0.150166D+01  0.120373D+02  0.240370D+02  0.317541D+01  0.105824D+02
      4   0.153076D+01  0.561893D+00  0.102046D+01 -0.286440D+00  0.537163D+00
      5   0.184145D+01  0.804596D+00  0.165332D+01  0.643949D+01  0.103634D+00
      6   0.757683D+00  0.167286D+01  0.395247D+01 -0.112082D+01  0.862166D+01
               351 
      1  -0.177907D+02
      2  -0.417626D+02
      3   0.595533D+02
      4   0.192523D+00
      5   0.487788D+01
      6  -0.654193D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z         -0.219508D+01     -0.557934D+01     -0.186107D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx        -0.865866D+01     -0.128308D+01     -0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.286983D+03      0.425264D+02      0.473170D+02
   aniso      0.213309D+03      0.316091D+02      0.351699D+02
   xx         0.149192D+03      0.221079D+02      0.245984D+02
   yx        -0.111754D+02     -0.165602D+01     -0.184257D+01
   yy         0.327553D+03      0.485383D+02      0.540062D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.384203D+03      0.569330D+02      0.633465D+02

 ----------------------------------------------------------------------

 Dipole orientation:
    28          0.00000000         -0.00000000         -1.23304630
     7         -0.15664318         -2.89404942         -3.36279032
     7          0.06639553         -2.37889685          1.39216124
     7         -0.06639553          2.37889685          1.39216124
     7          0.15664318          2.89404942         -3.36279032
     6         -0.32957768         -3.56482471         -5.79546310
     1         -0.36016857         -2.17256710         -7.28293645
     6         -0.46614252         -6.21048475         -6.02064287
     1         -0.61539309         -7.25758578         -7.76094268
     6         -0.37378027         -7.19158898         -3.57424500
     1         -0.43324239         -9.15356312         -3.02723354
     6         -0.18340926         -5.10590771         -1.94816024
     6         -0.00000000         -4.72920025          0.68332686
     1          0.10697740         -6.28452989          2.01950874
     6          0.59831375         -1.32401204          3.87124381
     1          2.65407877         -1.04603900          3.98167751
     6         -0.23525201         -2.81712812          6.18258673
     1          0.63905435         -4.68614662          6.20208870
     1         -2.28281939         -3.10054924          6.11140641
     6          0.50494049         -1.35689895          8.57616675
     1          2.56859890         -1.31301384          8.71803038
     1         -0.17628877         -2.35816466         10.24659582
     6         -0.50494049          1.35689895          8.57616675
     1          0.17628877          2.35816466         10.24659582
     1         -2.56859890          1.31301384          8.71803038
     6          0.23525201          2.81712812          6.18258673
     1          2.28281939          3.10054924          6.11140641
     1         -0.63905435          4.68614662          6.20208870
     6         -0.59831375          1.32401204          3.87124381
     1         -2.65407877          1.04603900          3.98167751
     6         -0.00000000          4.72920025          0.68332686
     1         -0.10697740          6.28452989          2.01950874
     6          0.18340926          5.10590771         -1.94816024
     6          0.37378027          7.19158898         -3.57424500
     1          0.43324239          9.15356312         -3.02723354
     6          0.46614252          6.21048475         -6.02064287
     1          0.61539309          7.25758578         -7.76094268
     6          0.32957768          3.56482471         -5.79546310
     1          0.36016857          2.17256710         -7.28293645

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.219508D+01      0.557934D+01      0.186107D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx         0.865866D+01      0.128308D+01      0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.286983D+03      0.425264D+02      0.473170D+02
   aniso      0.213309D+03      0.316091D+02      0.351699D+02
   xx         0.149192D+03      0.221079D+02      0.245984D+02
   yx         0.111754D+02      0.165602D+01      0.184257D+01
   yy         0.327553D+03      0.485383D+02      0.540062D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.384203D+03      0.569330D+02      0.633465D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-36\Freq\RwB97XD\Gen\C16H18N4Ni1\PIERPA\07-Sep-2021\0\
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 "THE ACADEMIC HIERARCHY"


 THE PRESIDENT:
   LEAPS TALL BUILDINGS IN A SINGLE BOUND,
     IS MORE POWERFUL THAN A LOCOMOTIVE,
       IS FASTER THAN A SPEEDING BULLET,
         WALKS ON WATER,
           GIVES POLICY TO GOD.

 THE VICE PRESIDENT FOR ACADEMIC AFFAIRS:
   LEAPS SHORT BUILDINGS IN A SINGLE BOUND,
     IS MORE POWERFUL THAN A SWITCH ENGINE,
       IS JUST AS FAST AS A SPEEDING BULLET,
         WALKS ON WATER IF SEA IS CALM,
           TALKS WITH GOD.

 PROFESSOR:
   LEAPS SHORT BUILDINGS WITH A RUNNING START AND FAVORABLE WINDS,
     IS ALMOST AS POWERFUL AS A SWITCH ENGINE,
       CAN FIRE A SPEEDING BULLET,
         WALKS ON WATER IN AN INDOOR SWIMMING POOL,
          TALKS WITH GOD IF SPECIAL REQUEST IS APPROVED.

 ASSOCIATE PROFESSOR:
   BARELY CLEARS A QUONSET HUT,
     LOSES TUG OF WAR WITH LOCOMOTIVE,
       MISFIRES FREQUENTLY,
         SWIMS WELL,
           IS OCCASIONALLY ADDRESSED BY GOD.

 ASSISTANT PROFESSOR:
   MAKES HIGH MARKS ON WALLS WHEN TRYING TO LEAP TALL BUILDINGS,
     IS RUN OVER BY LOCOMOTIVES,
       CAN SOMETIMES HANDLE A GUN WITHOUT INFLICTING SELF INJURY,
         DOG PADDLES,
           TALKS TO ANIMALS.

 GRADUATE STUDENT:
   RUNS INTO BUILDINGS,
     RECOGNIZES LOCOMOTIVES TWO OUT OF THREE TIMES,
       IS NOT ISSUED AMMUNITION,
         CAN STAY AFLOAT WITH A LIFE JACKET,
           TALKS TO WALLS.

 UNDERGRADUATE AND WORK STUDY STUDENT:
   FALLS OVER DOORSTEP WHEN TRYING TO ENTER BUILDINGS,
     SAYS, "LOOK AT THE CHOO-CHOO,"
       WETS HIMSELF WITH A WATER PISTOL,
        PLAYS IN MUD PUDDLES,
          MUMBLES TO HIMSELF.

 DEPARTMENT SECRETARY:
   LIFTS TALL BUILDINGS AND WALKS UNDER THEM,
     KICKS LOCOMOTIVES OFF THE TRACKS,
       CATCHES SPEEDING BULLETS IN HER TEETH AND EATS THEM,
         FREEZES WATER WITH A SINGLE GLANCE,
           IS GOD.
 Job cpu time:       4 days 14 hours  4 minutes 28.6 seconds.
 Elapsed time:       0 days 13 hours 45 minutes 45.2 seconds.
 File lengths (MBytes):  RWF=   1287 Int=      0 D2E=      0 Chk=     41 Scr=      2
 Normal termination of Gaussian 16 at Tue Sep  7 01:18:05 2021.
